6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid

C14H13ClN2O2 — CID 94285501

IUPAC6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nc(-c2ccc(Cl)cc2)c(C)cc1C(=O)O
InChIInChI=1S/C14H13ClN2O2/c1-8-7-11(14(18)19)13(16-2)17-12(8)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyJQEYTQZFGGZMIU-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.45
Rot. Bonds3

About 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid

6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid (PubChem CID 94285501) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid
PubChem CID94285501
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nc(-c2ccc(Cl)cc2)c(C)cc1C(=O)O
InChIInChI=1S/C14H13ClN2O2/c1-8-7-11(14(18)19)13(16-2)17-12(8)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyJQEYTQZFGGZMIU-UHFFFAOYSA-N
XLogP3.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
6-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 94288954
6-chloro-3-(4-chlorophenyl)pyridazine-4-carboxylic acid
CID 97180483
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 116533689
3-(4-chlorobenzoyl)-5,6-dimethylpyridine-2-carboxylic acid
CID 168886977
2-(dimethylamino)-5-methyl-6-phenylpyridine-3-carboxylic acid
CID 82120489
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
3-chloro-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 141310101
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid (CID 94285501) is 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid is CNc1nc(-c2ccc(Cl)cc2)c(C)cc1C(=O)O.
What is the InChIKey of 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid?
The InChIKey is JQEYTQZFGGZMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-7-11(14(18)19)13(16-2)17-12(8)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid?
6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 94285501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).