3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid

C13H10ClNO3 — CID 114020568

IUPAC3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
SMILESCOc1ccc(-c2cc(Cl)cc(C(=O)O)c2)cn1
InChIInChI=1S/C13H10ClNO3/c1-18-12-3-2-8(7-15-12)9-4-10(13(16)17)6-11(14)5-9/h2-7H,1H3,(H,16,17)
InChIKeyVPXDSBHCAHORSI-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid

3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid (PubChem CID 114020568) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
PubChem CID114020568
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
SMILESCOc1ccc(-c2cc(Cl)cc(C(=O)O)c2)cn1
InChIInChI=1S/C13H10ClNO3/c1-18-12-3-2-8(7-15-12)9-4-10(13(16)17)6-11(14)5-9/h2-7H,1H3,(H,16,17)
InChIKeyVPXDSBHCAHORSI-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

3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 56863848
3-(6-methoxy-3-pyridinyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 56877298
5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 134063116
3-chloro-5-(4-propoxyphenyl)benzoic acid
CID 107957184
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
3-chloro-5-(4-fluoro-3-methoxycarbonylphenyl)benzoic acid
CID 53228036
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid?
The IUPAC name of 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid (CID 114020568) is 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid?
The canonical SMILES for 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid is COc1ccc(-c2cc(Cl)cc(C(=O)O)c2)cn1.
What is the InChIKey of 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid?
The InChIKey is VPXDSBHCAHORSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-18-12-3-2-8(7-15-12)9-4-10(13(16)17)6-11(14)5-9/h2-7H,1H3,(H,16,17).
What are the key properties of 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid?
3-chloro-5-(6-methoxy-3-pyridinyl)benzoic 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 3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid is sourced from PubChem (CID 114020568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).