5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid

C13H11FN2O2 — CID 12640191

IUPAC5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-15-11-5-6-12(13(17)18)16-8-11/h1-6,8,15H,7H2,(H,17,18)
InChIKeyPVPQAPNBZMNFLO-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.53
Rot. Bonds4

About 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid

5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 12640191) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID12640191
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-15-11-5-6-12(13(17)18)16-8-11/h1-6,8,15H,7H2,(H,17,18)
InChIKeyPVPQAPNBZMNFLO-UHFFFAOYSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid (CID 12640191) is 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is PVPQAPNBZMNFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-15-11-5-6-12(13(17)18)16-8-11/h1-6,8,15H,7H2,(H,17,18).
What are the key properties of 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid?
5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).