3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid

C14H11FN2O3 — CID 20866734

IUPAC3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1ccc(F)cc1)c1cccnc1C(=O)O
InChIInChI=1S/C14H11FN2O3/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyXKHBILURLDMEQH-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.85
Rot. Bonds4

About 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid

3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 20866734) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID20866734
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1ccc(F)cc1)c1cccnc1C(=O)O
InChIInChI=1S/C14H11FN2O3/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyXKHBILURLDMEQH-UHFFFAOYSA-N
XLogP1.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 20866734) is 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid is O=C(NCc1ccc(F)cc1)c1cccnc1C(=O)O.
What is the InChIKey of 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XKHBILURLDMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 274.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 20866734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).