4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid

C13H11FN2O2 — CID 81233465

IUPAC4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-16-12-5-6-15-8-11(12)13(17)18/h1-6,8H,7H2,(H,15,16)(H,17,18)
InChIKeyRPIWATNCMYGVRL-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.53
Rot. Bonds4

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

4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81233465) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID81233465
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-16-12-5-6-15-8-11(12)13(17)18/h1-6,8H,7H2,(H,15,16)(H,17,18)
InChIKeyRPIWATNCMYGVRL-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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Related Compounds

4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244539
methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate
CID 83322074
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81244868
3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
CID 150942851
3-[(4-fluorophenyl)methylamino]-2-methylbenzoic acid
CID 17058960
2-amino-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 115544478
5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 63673662
4-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244300

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid (CID 81233465) is 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid is O=C(O)c1cnccc1NCc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is RPIWATNCMYGVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-16-12-5-6-15-8-11(12)13(17)18/h1-6,8H,7H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid?
4-[(4-fluorophenyl)methylamino]pyridine-3-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 4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81233465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).