Name: Name:1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-chloro-, methyl ester
Brand: Angene
SKU: AG000KMY
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-chloro-, methyl ester

CAS No.:

1234616-82-0

Catalog Number:

AG000KMY

Molecular Formula:

C9H7ClN2O2

Molecular Weight:

210.6171

Catalog Number:

AG000KMY

Chemical Name:

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-chloro-, methyl ester

CAS Number:

1234616-82-0

Molecular Formula:

C9H7ClN2O2

Molecular Weight:

210.6171

MDL Number:

MFCD20126206

IUPAC Name:

methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

InChI:

InChI=1S/C9H7ClN2O2/c1-14-9(13)5-4-12-8-7(5)6(10)2-3-11-8/h2-4H,1H3,(H,11,12)

InChI Key:

QJPLBKHKYNYEOB-UHFFFAOYSA-N

SMILES:

COC(=O)c1c[nH]c2c1c(Cl)ccn2

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.617g/mol

Monoisotopic Mass:

210.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8