Name: Name:1-benzyl-6-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine-7-carbonitrile
Brand: Angene
SKU: AG01AN4M
Rating: 90 (10 reviews)

1-benzyl-6-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine-7-carbonitrile

CAS No.:

66751-32-4

Catalog Number:

AG01AN4M

Molecular Formula:

C15H12ClN3

Molecular Weight:

269.7289

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Purity

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Product Description

Catalog Number:

AG01AN4M

Chemical Name:

1-benzyl-6-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine-7-carbonitrile

CAS Number:

66751-32-4

Molecular Formula:

C15H12ClN3

Molecular Weight:

269.7289

MDL Number:

MFCD00563864

IUPAC Name:

1-benzyl-6-chloro-2,3-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile

InChI:

InChI=1S/C15H12ClN3/c16-15-13(8-17)14-12(9-18-15)6-7-19(14)10-11-4-2-1-3-5-11/h1-5,9H,6-7,10H2

InChI Key:

IVUBSTLZKRPWCD-UHFFFAOYSA-N

SMILES:

N#Cc1c(Cl)ncc2c1N(CC2)Cc1ccccc1

Properties

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.732g/mol

Monoisotopic Mass:

269.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101