5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid

C15H12ClN3O3 — CID 20887875

IUPAC5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid
SMILESCOc1cc(-n2c(C)nc3cccnc32)c(Cl)cc1C(=O)O
InChIInChI=1S/C15H12ClN3O3/c1-8-18-11-4-3-5-17-14(11)19(8)12-7-13(22-2)9(15(20)21)6-10(12)16/h3-7H,1-2H3,(H,20,21)
InChIKeyVYDMZUQKZUMBAA-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.09
Rot. Bonds3

About 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid

5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid (PubChem CID 20887875) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid
PubChem CID20887875
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid
SMILESCOc1cc(-n2c(C)nc3cccnc32)c(Cl)cc1C(=O)O
InChIInChI=1S/C15H12ClN3O3/c1-8-18-11-4-3-5-17-14(11)19(8)12-7-13(22-2)9(15(20)21)6-10(12)16/h3-7H,1-2H3,(H,20,21)
InChIKeyVYDMZUQKZUMBAA-UHFFFAOYSA-N
XLogP3.09
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid (CID 20887875) is 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid is COc1cc(-n2c(C)nc3cccnc32)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The InChIKey is VYDMZUQKZUMBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-8-18-11-4-3-5-17-14(11)19(8)12-7-13(22-2)9(15(20)21)6-10(12)16/h3-7H,1-2H3,(H,20,21).
What are the key properties of 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid has a molecular weight of 317.73 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 20887875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).