2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid

C13H9ClFNO2 — CID 53222875

IUPAC2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2cnc(Cl)c(C(=O)O)c2)ccc1F
InChIInChI=1S/C13H9ClFNO2/c1-7-4-8(2-3-11(7)15)9-5-10(13(17)18)12(14)16-6-9/h2-6H,1H3,(H,17,18)
InChIKeyORCPBGOJJQAZQU-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid

2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 53222875) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
PubChem CID53222875
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2cnc(Cl)c(C(=O)O)c2)ccc1F
InChIInChI=1S/C13H9ClFNO2/c1-7-4-8(2-3-11(7)15)9-5-10(13(17)18)12(14)16-6-9/h2-6H,1H3,(H,17,18)
InChIKeyORCPBGOJJQAZQU-UHFFFAOYSA-N
XLogP3.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224344
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222587
5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
CID 117222130
2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224514
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53222871
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
2-fluoro-5-(2-methoxypyrimidin-5-yl)benzoic acid
CID 112747590
3-(4-chlorophenyl)-8-methylquinoline-5-carboxylic acid
CID 125495066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid (CID 53222875) is 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid is Cc1cc(-c2cnc(Cl)c(C(=O)O)c2)ccc1F.
What is the InChIKey of 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is ORCPBGOJJQAZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c1-7-4-8(2-3-11(7)15)9-5-10(13(17)18)12(14)16-6-9/h2-6H,1H3,(H,17,18).
What are the key properties of 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid?
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 265.67 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53222875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).