5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C10H7ClF5N3 — CID 134457762

IUPAC5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(C(F)(F)F)c(Cl)n2nc(C(F)F)nc12
InChIInChI=1S/C10H7ClF5N3/c1-2-4-3-5(10(14,15)16)6(11)19-9(4)17-8(18-19)7(12)13/h3,7H,2H2,1H3
InChIKeyBCOJWQAJUDWKFU-UHFFFAOYSA-N
MW299.63 g/mol
LogP3.90
Rot. Bonds2

About 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457762) has the molecular formula C10H7ClF5N3 and a molecular weight of 299.63 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457762
Molecular FormulaC10H7ClF5N3
Molecular Weight299.63 g/mol
Exact Mass299.02
IUPAC Name5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(C(F)(F)F)c(Cl)n2nc(C(F)F)nc12
InChIInChI=1S/C10H7ClF5N3/c1-2-4-3-5(10(14,15)16)6(11)19-9(4)17-8(18-19)7(12)13/h3,7H,2H2,1H3
InChIKeyBCOJWQAJUDWKFU-UHFFFAOYSA-N
XLogP3.90
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.63
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 134457774
5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 172858965
2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
CID 139336058
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163275475
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058
5-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 134457809
5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 134452486
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133104001

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457762) is 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1cc(C(F)(F)F)c(Cl)n2nc(C(F)F)nc12.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BCOJWQAJUDWKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5N3/c1-2-4-3-5(10(14,15)16)6(11)19-9(4)17-8(18-19)7(12)13/h3,7H,2H2,1H3.
What are the key properties of 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 299.63 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).