2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid

C14H10FN3O2 — CID 105382240

IUPAC2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESN#Cc1cccc(CNc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C14H10FN3O2/c15-12-11(14(19)20)4-5-17-13(12)18-8-10-3-1-2-9(6-10)7-16/h1-6H,8H2,(H,17,18)(H,19,20)
InChIKeyPJYFSTOXGZHSNX-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.40
Rot. Bonds4

About 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid

2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382240) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
PubChem CID105382240
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESN#Cc1cccc(CNc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C14H10FN3O2/c15-12-11(14(19)20)4-5-17-13(12)18-8-10-3-1-2-9(6-10)7-16/h1-6H,8H2,(H,17,18)(H,19,20)
InChIKeyPJYFSTOXGZHSNX-UHFFFAOYSA-N
XLogP2.40
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382350
2-[(3-cyanophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571600
5-[(3-cyanophenyl)methylamino]furan-2-carboxylic acid
CID 62312630
2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382290
4-[[(3-cyanophenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103240146
2-[4-(cyanomethyl)anilino]-3-fluoropyridine-4-carboxylic acid
CID 105382235
3-[(quinoxalin-6-ylamino)methyl]benzonitrile
CID 60942879
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065
3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 134702880
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114170880

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid (CID 105382240) is 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid is N#Cc1cccc(CNc2nccc(C(=O)O)c2F)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is PJYFSTOXGZHSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-11(14(19)20)4-5-17-13(12)18-8-10-3-1-2-9(6-10)7-16/h1-6H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid?
2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).