6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile

C7H2ClF3N2 — CID 59570332

IUPAC6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H2ClF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H
InChIKeyHQVYLNKDLDHDMB-UHFFFAOYSA-N
MW206.55 g/mol
LogP2.63
Rot. Bonds

About 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile

6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 59570332) has the molecular formula C7H2ClF3N2 and a molecular weight of 206.55 g/mol. Its IUPAC name is 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID59570332
Molecular FormulaC7H2ClF3N2
Molecular Weight206.55 g/mol
Exact Mass205.99
IUPAC Name6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H2ClF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H
InChIKeyHQVYLNKDLDHDMB-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 59570332) is 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is HQVYLNKDLDHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H.
What are the key properties of 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile?
6-chloro-4-(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 6-chloro-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 59570332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).