4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid

C13H10ClNO2 — CID 107989750

IUPAC4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
SMILESCc1cnccc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H10ClNO2/c1-8-7-15-5-4-10(8)12-6-9(14)2-3-11(12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyBRUDXOAJNFRCCW-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.41
Rot. Bonds2

About 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid

4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid (PubChem CID 107989750) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
PubChem CID107989750
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
SMILESCc1cnccc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H10ClNO2/c1-8-7-15-5-4-10(8)12-6-9(14)2-3-11(12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyBRUDXOAJNFRCCW-UHFFFAOYSA-N
XLogP3.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
4-chloro-2-isoquinolin-8-ylbenzoic acid
CID 107989947
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53229506
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
(2-bromo-4-chlorophenyl)-(4-methyl-3-pyridinyl)methanone
CID 107996490
4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
CID 166163521

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid?
The IUPAC name of 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid (CID 107989750) is 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid is Cc1cnccc1-c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid?
The InChIKey is BRUDXOAJNFRCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-8-7-15-5-4-10(8)12-6-9(14)2-3-11(12)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid?
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid has a molecular weight of 247.68 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid is sourced from PubChem (CID 107989750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).