5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid

C13H10ClNO3 — CID 52984128

IUPAC5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1cncc(C(=O)O)c1
InChIInChI=1S/C13H10ClNO3/c1-18-12-3-2-10(14)5-11(12)8-4-9(13(16)17)7-15-6-8/h2-7H,1H3,(H,16,17)
InChIKeySTOIWSHSUNXELR-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.11
Rot. Bonds3

About 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid

5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 52984128) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID52984128
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1cncc(C(=O)O)c1
InChIInChI=1S/C13H10ClNO3/c1-18-12-3-2-10(14)5-11(12)8-4-9(13(16)17)7-15-6-8/h2-7H,1H3,(H,16,17)
InChIKeySTOIWSHSUNXELR-UHFFFAOYSA-N
XLogP3.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
CID 39233473
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223935
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316008
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601
1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid (CID 52984128) is 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid is COc1ccc(Cl)cc1-c1cncc(C(=O)O)c1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is STOIWSHSUNXELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-18-12-3-2-10(14)5-11(12)8-4-9(13(16)17)7-15-6-8/h2-7H,1H3,(H,16,17).
What are the key properties of 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 52984128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).