3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine

C8H3Cl2F3N4 — CID 146438049

IUPAC3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1c(Cl)cnc(-n2ccnn2)c1Cl
InChIInChI=1S/C8H3Cl2F3N4/c9-4-3-14-7(17-2-1-15-16-17)6(10)5(4)8(11,12)13/h1-3H
InChIKeyIWICKJUITQVJQR-UHFFFAOYSA-N
MW283.04 g/mol
LogP2.99
Rot. Bonds1

About 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine

3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 146438049) has the molecular formula C8H3Cl2F3N4 and a molecular weight of 283.04 g/mol. Its IUPAC name is 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID146438049
Molecular FormulaC8H3Cl2F3N4
Molecular Weight283.04 g/mol
Exact Mass281.97
IUPAC Name3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1c(Cl)cnc(-n2ccnn2)c1Cl
InChIInChI=1S/C8H3Cl2F3N4/c9-4-3-14-7(17-2-1-15-16-17)6(10)5(4)8(11,12)13/h1-3H
InChIKeyIWICKJUITQVJQR-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine (CID 146438049) is 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1c(Cl)cnc(-n2ccnn2)c1Cl.
What is the InChIKey of 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is IWICKJUITQVJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3N4/c9-4-3-14-7(17-2-1-15-16-17)6(10)5(4)8(11,12)13/h1-3H.
What are the key properties of 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine?
3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 283.04 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 146438049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).