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

C9H7ClF3N3 — CID 11230428

IUPAC2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C9H7ClF3N3/c1-16(2)7-3-6(9(11,12)13)5(4-14)8(10)15-7/h3H,1-2H3
InChIKeySWGVGHPNJOPRBG-UHFFFAOYSA-N
MW249.62 g/mol
LogP2.69
Rot. Bonds1

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

2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11230428) has the molecular formula C9H7ClF3N3 and a molecular weight of 249.62 g/mol. Its IUPAC name is 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11230428
Molecular FormulaC9H7ClF3N3
Molecular Weight249.62 g/mol
Exact Mass249.03
IUPAC Name2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C9H7ClF3N3/c1-16(2)7-3-6(9(11,12)13)5(4-14)8(10)15-7/h3H,1-2H3
InChIKeySWGVGHPNJOPRBG-UHFFFAOYSA-N
XLogP2.69
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11230428) is 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is CN(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is SWGVGHPNJOPRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3/c1-16(2)7-3-6(9(11,12)13)5(4-14)8(10)15-7/h3H,1-2H3.
What are the key properties of 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 249.62 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dimethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11230428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).