2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C14H10ClN3O2 — CID 115938354

IUPAC2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCc1ccc(Cl)cc1-c1nc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C14H10ClN3O2/c1-7-2-3-8(15)6-10(7)12-17-11-9(14(19)20)4-5-16-13(11)18-12/h2-6H,1H3,(H,19,20)(H,16,17,18)
InChIKeyNXMYIHDUZDIIIN-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.28
Rot. Bonds2

About 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 115938354) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID115938354
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCc1ccc(Cl)cc1-c1nc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C14H10ClN3O2/c1-7-2-3-8(15)6-10(7)12-17-11-9(14(19)20)4-5-16-13(11)18-12/h2-6H,1H3,(H,19,20)(H,16,17,18)
InChIKeyNXMYIHDUZDIIIN-UHFFFAOYSA-N
XLogP3.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 115938354) is 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is Cc1ccc(Cl)cc1-c1nc2nccc(C(=O)O)c2[nH]1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is NXMYIHDUZDIIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-7-2-3-8(15)6-10(7)12-17-11-9(14(19)20)4-5-16-13(11)18-12/h2-6H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 287.71 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 115938354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).