2-(trifluoromethyl)pyridine-4-carbonitrile

C7H3F3N2 — CID 53403825

IUPAC2-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H3F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H
InChIKeyMLFFNKLBERSEPF-UHFFFAOYSA-N
MW172.11 g/mol
LogP1.97
Rot. Bonds

About 2-(trifluoromethyl)pyridine-4-carbonitrile

2-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 53403825) has the molecular formula C7H3F3N2 and a molecular weight of 172.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID53403825
Molecular FormulaC7H3F3N2
Molecular Weight172.11 g/mol
Exact Mass172.02
IUPAC Name2-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H3F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H
InChIKeyMLFFNKLBERSEPF-UHFFFAOYSA-N
XLogP1.97
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(trifluoromethyl)pyridine-4-carbonitrile (CID 53403825) is 2-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is MLFFNKLBERSEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H.
What are the key properties of 2-(trifluoromethyl)pyridine-4-carbonitrile?
2-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 172.11 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 53403825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).