1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid

C15H11Cl2N3O2 — CID 22387929

IUPAC1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1nc2ncc(C(=O)O)cc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2/c1-8-19-14-13(4-10(6-18-14)15(21)22)20(8)7-9-2-3-11(16)5-12(9)17/h2-6H,7H2,1H3,(H,21,22)
InChIKeyPRNJXQXDGWZMSZ-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.79
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 22387929) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID22387929
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1nc2ncc(C(=O)O)cc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2/c1-8-19-14-13(4-10(6-18-14)15(21)22)20(8)7-9-2-3-11(16)5-12(9)17/h2-6H,7H2,1H3,(H,21,22)
InChIKeyPRNJXQXDGWZMSZ-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid
CID 22387822
3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18681118
3-[(2,4-dichlorophenyl)methyl]-1-methyl-2-oxobenzimidazole-5-carboxylic acid
CID 22387851
methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22387793
N-(butylsulfamoyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18467562
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827
3-[(2,4-dichlorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748058
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
4-[(2,4-dichlorophenyl)methyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 50982347
1-[(3,4-dichlorophenyl)methyl]-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-2-methylimidazo[4,5-b]pyridine
CID 167224031
3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 174361162
methyl 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388065

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid (CID 22387929) is 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid is Cc1nc2ncc(C(=O)O)cc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is PRNJXQXDGWZMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-8-19-14-13(4-10(6-18-14)15(21)22)20(8)7-9-2-3-11(16)5-12(9)17/h2-6H,7H2,1H3,(H,21,22).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 336.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 22387929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).