6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide

C14H9ClF3N5O — CID 16571776

IUPAC6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(Cl)nc1
InChIInChI=1S/C14H9ClF3N5O/c15-10-3-1-8(5-19-10)13(24)20-6-12-22-21-11-4-2-9(7-23(11)12)14(16,17)18/h1-5,7H,6H2,(H,20,24)
InChIKeyKVJLPAWTISCOPM-UHFFFAOYSA-N
MW355.71 g/mol
LogP2.73
Rot. Bonds3

About 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide

6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 16571776) has the molecular formula C14H9ClF3N5O and a molecular weight of 355.71 g/mol. Its IUPAC name is 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID16571776
Molecular FormulaC14H9ClF3N5O
Molecular Weight355.71 g/mol
Exact Mass355.04
IUPAC Name6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(Cl)nc1
InChIInChI=1S/C14H9ClF3N5O/c15-10-3-1-8(5-19-10)13(24)20-6-12-22-21-11-4-2-9(7-23(11)12)14(16,17)18/h1-5,7H,6H2,(H,20,24)
InChIKeyKVJLPAWTISCOPM-UHFFFAOYSA-N
XLogP2.73
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide (CID 16571776) is 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide is O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is KVJLPAWTISCOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5O/c15-10-3-1-8(5-19-10)13(24)20-6-12-22-21-11-4-2-9(7-23(11)12)14(16,17)18/h1-5,7H,6H2,(H,20,24).
What are the key properties of 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?
6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 355.71 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 16571776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).