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

C13H10FNO2 — CID 66271663

IUPAC5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid
SMILESCc1ccncc1-c1ccc(F)cc1C(=O)O
InChIInChI=1S/C13H10FNO2/c1-8-4-5-15-7-12(8)10-3-2-9(14)6-11(10)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyMVVOLDLPJHUBIR-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.89
Rot. Bonds2

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

5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid (PubChem CID 66271663) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid
PubChem CID66271663
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid
SMILESCc1ccncc1-c1ccc(F)cc1C(=O)O
InChIInChI=1S/C13H10FNO2/c1-8-4-5-15-7-12(8)10-3-2-9(14)6-11(10)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyMVVOLDLPJHUBIR-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 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid (CID 66271663) is 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid is Cc1ccncc1-c1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid?
The InChIKey is MVVOLDLPJHUBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-8-4-5-15-7-12(8)10-3-2-9(14)6-11(10)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid?
5-fluoro-2-(4-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 5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid is sourced from PubChem (CID 66271663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).