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

C13H15ClF3N3 — CID 11335756

IUPAC2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(CCC)c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C13H15ClF3N3/c1-3-5-20(6-4-2)11-7-10(13(15,16)17)9(8-18)12(14)19-11/h7H,3-6H2,1-2H3
InChIKeyBQGLHBDNHYJAFB-UHFFFAOYSA-N
MW305.73 g/mol
LogP4.25
Rot. Bonds5

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

2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11335756) has the molecular formula C13H15ClF3N3 and a molecular weight of 305.73 g/mol. Its IUPAC name is 2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11335756
Molecular FormulaC13H15ClF3N3
Molecular Weight305.73 g/mol
Exact Mass305.09
IUPAC Name2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(CCC)c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C13H15ClF3N3/c1-3-5-20(6-4-2)11-7-10(13(15,16)17)9(8-18)12(14)19-11/h7H,3-6H2,1-2H3
InChIKeyBQGLHBDNHYJAFB-UHFFFAOYSA-N
XLogP4.25
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 54.25
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-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11335756) is 2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is CCCN(CCC)c1cc(C(F)(F)F)c(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BQGLHBDNHYJAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3/c1-3-5-20(6-4-2)11-7-10(13(15,16)17)9(8-18)12(14)19-11/h7H,3-6H2,1-2H3.
What are the key properties of 2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 305.73 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dipropylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11335756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).