3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide

C14H10FN5O — CID 115645903

IUPAC3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnn1)c1ccncc1F
InChIInChI=1S/C14H10FN5O/c15-11-9-16-6-5-10(11)14(21)18-12-3-1-2-4-13(12)20-8-7-17-19-20/h1-9H,(H,18,21)
InChIKeyTWTHBNKTBHHRQD-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.05
Rot. Bonds3

About 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide

3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 115645903) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID115645903
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC Name3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnn1)c1ccncc1F
InChIInChI=1S/C14H10FN5O/c15-11-9-16-6-5-10(11)14(21)18-12-3-1-2-4-13(12)20-8-7-17-19-20/h1-9H,(H,18,21)
InChIKeyTWTHBNKTBHHRQD-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348
2-bromo-N-[2-(triazol-1-yl)phenyl]furan-3-carboxamide
CID 106853061
2-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61294563
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide
CID 122140618
3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 104741177
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide
CID 103737699
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
3-(triazol-1-yl)pyridine-4-carboxylic acid
CID 84662416
3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 115645633

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide (CID 115645903) is 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccccc1-n1ccnn1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is TWTHBNKTBHHRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-11-9-16-6-5-10(11)14(21)18-12-3-1-2-4-13(12)20-8-7-17-19-20/h1-9H,(H,18,21).
What are the key properties of 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide?
3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 283.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 115645903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).