6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C8H4ClF3N2 — CID 162574758

IUPAC6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(Cl)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C8H4ClF3N2/c1-4-5(3-13)6(8(10,11)12)2-7(9)14-4/h2H,1H3
InChIKeyXJHQKWWBDAFTIC-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.93
Rot. Bonds

About 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 162574758) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID162574758
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(Cl)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C8H4ClF3N2/c1-4-5(3-13)6(8(10,11)12)2-7(9)14-4/h2H,1H3
InChIKeyXJHQKWWBDAFTIC-UHFFFAOYSA-N
XLogP2.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 52.93
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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Related Compounds

3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-thiolate
CID 7063940
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920
6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
CID 43829356
2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 141497615
2-iodo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171783031
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 170598975
2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11159730
6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 118973914
6-(1,3-benzodioxol-5-yl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2110872
3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 75176105

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 162574758) is 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1nc(Cl)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is XJHQKWWBDAFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c1-4-5(3-13)6(8(10,11)12)2-7(9)14-4/h2H,1H3.
What are the key properties of 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 220.58 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 162574758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).