2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid

C13H8Cl2N4O2 — CID 67327957

IUPAC2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1
InChIInChI=1S/C13H8Cl2N4O2/c14-6-2-1-3-7(15)11(6)19-13-17-8-4-9(12(20)21)16-5-10(8)18-13/h1-5H,(H,20,21)(H2,17,18,19)
InChIKeyNQAWDNWAPUBITF-UHFFFAOYSA-N
MW323.14 g/mol
LogP3.71
Rot. Bonds3

About 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid

2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 67327957) has the molecular formula C13H8Cl2N4O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID67327957
Molecular FormulaC13H8Cl2N4O2
Molecular Weight323.14 g/mol
Exact Mass322.00
IUPAC Name2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1
InChIInChI=1S/C13H8Cl2N4O2/c14-6-2-1-3-7(15)11(6)19-13-17-8-4-9(12(20)21)16-5-10(8)18-13/h1-5H,(H,20,21)(H2,17,18,19)
InChIKeyNQAWDNWAPUBITF-UHFFFAOYSA-N
XLogP3.71
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
CID 90793369
2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137973
N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137822
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 45137009
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
2-(2,6-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571332
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
CID 143961942
7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 58562378
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
CID 107372478
5-[(2,6-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725320

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 67327957) is 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1.
What is the InChIKey of 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is NQAWDNWAPUBITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O2/c14-6-2-1-3-7(15)11(6)19-13-17-8-4-9(12(20)21)16-5-10(8)18-13/h1-5H,(H,20,21)(H2,17,18,19).
What are the key properties of 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 323.14 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 67327957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).