5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

C10H7ClF3N5O2 — CID 146323285

IUPAC5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1n[nH]c(Cl)n1
InChIInChI=1S/C10H7ClF3N5O2/c11-10-16-7(17-18-10)8(20)15-4-1-5(12)9(21)19(2-4)3-6(13)14/h1-2,6H,3H2,(H,15,20)(H,16,17,18)
InChIKeyNWFHDTXJSBUGTD-UHFFFAOYSA-N
MW321.65 g/mol
LogP1.28
Rot. Bonds4

About 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 146323285) has the molecular formula C10H7ClF3N5O2 and a molecular weight of 321.65 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID146323285
Molecular FormulaC10H7ClF3N5O2
Molecular Weight321.65 g/mol
Exact Mass321.02
IUPAC Name5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1n[nH]c(Cl)n1
InChIInChI=1S/C10H7ClF3N5O2/c11-10-16-7(17-18-10)8(20)15-4-1-5(12)9(21)19(2-4)3-6(13)14/h1-2,6H,3H2,(H,15,20)(H,16,17,18)
InChIKeyNWFHDTXJSBUGTD-UHFFFAOYSA-N
XLogP1.28
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (CID 146323285) is 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1n[nH]c(Cl)n1.
What is the InChIKey of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is NWFHDTXJSBUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5O2/c11-10-16-7(17-18-10)8(20)15-4-1-5(12)9(21)19(2-4)3-6(13)14/h1-2,6H,3H2,(H,15,20)(H,16,17,18).
What are the key properties of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 321.65 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 146323285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).