6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H9ClF3N3 — CID 117139653

IUPAC6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(Cc2nnc3ccc(Cl)cn23)cc1
InChIInChI=1S/C14H9ClF3N3/c15-11-5-6-12-19-20-13(21(12)8-11)7-9-1-3-10(4-2-9)14(16,17)18/h1-6,8H,7H2
InChIKeyQLDDHTPOUDPCHJ-UHFFFAOYSA-N
MW311.69 g/mol
LogP3.99
Rot. Bonds2

About 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139653) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139653
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(Cc2nnc3ccc(Cl)cn23)cc1
InChIInChI=1S/C14H9ClF3N3/c15-11-5-6-12-19-20-13(21(12)8-11)7-9-1-3-10(4-2-9)14(16,17)18/h1-6,8H,7H2
InChIKeyQLDDHTPOUDPCHJ-UHFFFAOYSA-N
XLogP3.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138638
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139687
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144561
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139739
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53203104
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
CID 79457043
3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142870006
3-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799949
3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267539

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117139653) is 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc(Cc2nnc3ccc(Cl)cn23)cc1.
What is the InChIKey of 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QLDDHTPOUDPCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c15-11-5-6-12-19-20-13(21(12)8-11)7-9-1-3-10(4-2-9)14(16,17)18/h1-6,8H,7H2.
What are the key properties of 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 311.69 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).