Name: Name:2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Brand: Angene
SKU: AG01ELAB
Rating: 90 (10 reviews)

2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

CAS No.:

2089769-97-9

Catalog Number:

AG01ELAB

Molecular Formula:

C8H5Cl2N3O2

Molecular Weight:

246.0502

Catalog Number:

AG01ELAB

Chemical Name:

2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

CAS Number:

2089769-97-9

Molecular Formula:

C8H5Cl2N3O2

Molecular Weight:

246.0502

MDL Number:

MFCD25372089

IUPAC Name:

2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

InChI:

InChI=1S/C8H5Cl2N3O2/c1-2-3-5(9)12-8(10)13-6(3)11-4(2)7(14)15/h1H3,(H,14,15)(H,11,12,13)

InChI Key:

RTUHMLDIQYQXCH-UHFFFAOYSA-N

SMILES:

Clc1nc(Cl)c2c(n1)[nH]c(c2C)C(=O)O

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.976g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.047g/mol

Monoisotopic Mass:

244.976g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8