6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide

C9H5ClF3N5O — CID 134023049

IUPAC6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Cl)nc1
InChIInChI=1S/C9H5ClF3N5O/c10-5-2-1-4(3-14-5)6(19)15-8-16-7(17-18-8)9(11,12)13/h1-3H,(H2,15,16,17,18,19)
InChIKeyWPBPUFNEWXEFMG-UHFFFAOYSA-N
MW291.62 g/mol
LogP2.12
Rot. Bonds2

About 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide

6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide (PubChem CID 134023049) has the molecular formula C9H5ClF3N5O and a molecular weight of 291.62 g/mol. Its IUPAC name is 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
PubChem CID134023049
Molecular FormulaC9H5ClF3N5O
Molecular Weight291.62 g/mol
Exact Mass291.01
IUPAC Name6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Cl)nc1
InChIInChI=1S/C9H5ClF3N5O/c10-5-2-1-4(3-14-5)6(19)15-8-16-7(17-18-8)9(11,12)13/h1-3H,(H2,15,16,17,18,19)
InChIKeyWPBPUFNEWXEFMG-UHFFFAOYSA-N
XLogP2.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 47995157
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36579992
2,5-dichloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
CID 36579905
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,1-benzoxazole-5-carboxamide
CID 36580090
2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 122156299
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 36580295
5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide
CID 47044630
6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81343163
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
2-(2,4,5-trichlorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 46548915

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide (CID 134023049) is 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The InChIKey is WPBPUFNEWXEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N5O/c10-5-2-1-4(3-14-5)6(19)15-8-16-7(17-18-8)9(11,12)13/h1-3H,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide has a molecular weight of 291.62 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134023049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).