4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid

C15H12ClN3O2 — CID 69371562

IUPAC4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid
SMILESCc1nc(Nc2cccc(Cl)c2)c2cc[nH]c2c1C(=O)O
InChIInChI=1S/C15H12ClN3O2/c1-8-12(15(20)21)13-11(5-6-17-13)14(18-8)19-10-4-2-3-9(16)7-10/h2-7,17H,1H3,(H,18,19)(H,20,21)
InChIKeyUWARLJCQJYMFHC-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.97
Rot. Bonds3

About 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid

4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid (PubChem CID 69371562) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid
PubChem CID69371562
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid
SMILESCc1nc(Nc2cccc(Cl)c2)c2cc[nH]c2c1C(=O)O
InChIInChI=1S/C15H12ClN3O2/c1-8-12(15(20)21)13-11(5-6-17-13)14(18-8)19-10-4-2-3-9(16)7-10/h2-7,17H,1H3,(H,18,19)(H,20,21)
InChIKeyUWARLJCQJYMFHC-UHFFFAOYSA-N
XLogP3.97
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
CID 140987852
5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79403075
6-(3-chloroanilino)-2-methyl-5-nitropyridine-3-carboxylic acid
CID 166667358
2-(3-chloroanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 44612424
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
ethyl 3-(3-chloroanilino)-5-methyl-1H-pyrazole-4-carboxylate
CID 14500687
N-[1-(3-chloroanilino)isoquinolin-3-yl]acetamide
CID 24986557
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
4-(3-chloroanilino)-3-methyl-[1,2]thiazolo[4,5-c]quinoline-7-carboxylic acid
CID 168967659
4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 13498036

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid (CID 69371562) is 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid is Cc1nc(Nc2cccc(Cl)c2)c2cc[nH]c2c1C(=O)O.
What is the InChIKey of 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is UWARLJCQJYMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8-12(15(20)21)13-11(5-6-17-13)14(18-8)19-10-4-2-3-9(16)7-10/h2-7,17H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid?
4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 301.73 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 69371562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).