5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid

C14H12ClNO2 — CID 113319492

IUPAC5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(Cl)c(-c2cncc(C(=O)O)c2)cc1C
InChIInChI=1S/C14H12ClNO2/c1-8-3-12(13(15)4-9(8)2)10-5-11(14(17)18)7-16-6-10/h3-7H,1-2H3,(H,17,18)
InChIKeyKEUVQWQLYFYIOD-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.72
Rot. Bonds2

About 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid

5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid (PubChem CID 113319492) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
PubChem CID113319492
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(Cl)c(-c2cncc(C(=O)O)c2)cc1C
InChIInChI=1S/C14H12ClNO2/c1-8-3-12(13(15)4-9(8)2)10-5-11(14(17)18)7-16-6-10/h3-7H,1-2H3,(H,17,18)
InChIKeyKEUVQWQLYFYIOD-UHFFFAOYSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-4,5-dimethylphenyl)benzoic acid
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3-(2-chloro-4,5-dimethylphenyl)benzoic acid
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1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
5-(2-methylthiophen-3-yl)pyridine-3-carboxylic acid
CID 53445769
5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
CID 39233473
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
5-(3-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 53445774
5-(2-ethylphenyl)pyridine-3-carboxylic acid
CID 56715011
5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid
CID 107360441
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid (CID 113319492) is 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid is Cc1cc(Cl)c(-c2cncc(C(=O)O)c2)cc1C.
What is the InChIKey of 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid?
The InChIKey is KEUVQWQLYFYIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-8-3-12(13(15)4-9(8)2)10-5-11(14(17)18)7-16-6-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid?
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid has a molecular weight of 261.71 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 113319492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).