3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile

C7H2ClF3N2 — CID 1473374

IUPAC3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H
InChIKeyFUPKVFJSGNZICR-UHFFFAOYSA-N
MW206.55 g/mol
LogP2.63
Rot. Bonds

About 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile

3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 1473374) has the molecular formula C7H2ClF3N2 and a molecular weight of 206.55 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID1473374
Molecular FormulaC7H2ClF3N2
Molecular Weight206.55 g/mol
Exact Mass205.99
IUPAC Name3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H
InChIKeyFUPKVFJSGNZICR-UHFFFAOYSA-N
XLogP2.63
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.55
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 1473374) is 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is FUPKVFJSGNZICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H.
What are the key properties of 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 206.55 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 1473374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).