4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid

C13H10FNO2 — CID 115374988

IUPAC4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid
SMILESCc1cncc(-c2cc(F)ccc2C(=O)O)c1
InChIInChI=1S/C13H10FNO2/c1-8-4-9(7-15-6-8)12-5-10(14)2-3-11(12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyTWTVWBYNARXMGS-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.89
Rot. Bonds2

About 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid

4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid (PubChem CID 115374988) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid
PubChem CID115374988
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid
SMILESCc1cncc(-c2cc(F)ccc2C(=O)O)c1
InChIInChI=1S/C13H10FNO2/c1-8-4-9(7-15-6-8)12-5-10(14)2-3-11(12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyTWTVWBYNARXMGS-UHFFFAOYSA-N
XLogP2.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
CID 54965819
5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid
CID 115374996
5-fluoro-2-(5-methyl-3-pyridinyl)aniline
CID 107626757
2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227277
4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53229231
3-(4-fluoro-2-pyridinyl)-5-methylpyridine
CID 102824529
2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 173322333
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
2-fluoro-3-(5-fluoro-3-pyridinyl)benzoic acid
CID 107957127
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 142384374
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid?
The IUPAC name of 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid (CID 115374988) is 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid is Cc1cncc(-c2cc(F)ccc2C(=O)O)c1.
What is the InChIKey of 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid?
The InChIKey is TWTVWBYNARXMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-8-4-9(7-15-6-8)12-5-10(14)2-3-11(12)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid?
4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid has a molecular weight of 231.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid is sourced from PubChem (CID 115374988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).