2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

C11H11ClF3N3 — CID 11161739

IUPAC2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C11H11ClF3N3/c1-3-4-18(2)9-5-8(11(13,14)15)7(6-16)10(12)17-9/h5H,3-4H2,1-2H3
InChIKeyVIUGMHFAWFONNU-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.47
Rot. Bonds3

About 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11161739) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11161739
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C11H11ClF3N3/c1-3-4-18(2)9-5-8(11(13,14)15)7(6-16)10(12)17-9/h5H,3-4H2,1-2H3
InChIKeyVIUGMHFAWFONNU-UHFFFAOYSA-N
XLogP3.47
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.47
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-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11161739) is 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is CCCN(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is VIUGMHFAWFONNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3/c1-3-4-18(2)9-5-8(11(13,14)15)7(6-16)10(12)17-9/h5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 277.68 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11161739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).