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

C13H10FNO2 — CID 53229231

IUPAC4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1-c1ccncc1C(=O)O
InChIInChI=1S/C13H10FNO2/c1-8-2-3-9(14)6-11(8)10-4-5-15-7-12(10)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyZMQUHJNNHYDSNF-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.89
Rot. Bonds2

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

4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 53229231) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
PubChem CID53229231
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1-c1ccncc1C(=O)O
InChIInChI=1S/C13H10FNO2/c1-8-2-3-9(14)6-11(8)10-4-5-15-7-12(10)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyZMQUHJNNHYDSNF-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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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid (CID 53229231) is 4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid is Cc1ccc(F)cc1-c1ccncc1C(=O)O.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is ZMQUHJNNHYDSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-8-2-3-9(14)6-11(8)10-4-5-15-7-12(10)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid?
4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic 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-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53229231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).