5-(4-fluorophenyl)pyridine-3-carboxylic acid

C12H8FNO2 — CID 11378949

IUPAC5-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H8FNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)
InChIKeyKISDAKHYANOMTN-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.59
Rot. Bonds2

About 5-(4-fluorophenyl)pyridine-3-carboxylic acid

5-(4-fluorophenyl)pyridine-3-carboxylic acid (PubChem CID 11378949) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-(4-fluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)pyridine-3-carboxylic acid
PubChem CID11378949
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name5-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H8FNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)
InChIKeyKISDAKHYANOMTN-UHFFFAOYSA-N
XLogP2.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)pyridine-3-carboxylic acid (CID 11378949) is 5-(4-fluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is KISDAKHYANOMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16).
What are the key properties of 5-(4-fluorophenyl)pyridine-3-carboxylic acid?
5-(4-fluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 217.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 11378949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).