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

C11H12F3N3 — CID 143050629

IUPAC6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(C)c1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C11H12F3N3/c1-3-4-17(2)10-5-9(11(12,13)14)8(6-15)7-16-10/h5,7H,3-4H2,1-2H3
InChIKeyWZHYNERGIHORGF-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.82
Rot. Bonds3

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

6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 143050629) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID143050629
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(C)c1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C11H12F3N3/c1-3-4-17(2)10-5-9(11(12,13)14)8(6-15)7-16-10/h5,7H,3-4H2,1-2H3
InChIKeyWZHYNERGIHORGF-UHFFFAOYSA-N
XLogP2.82
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
CID 43271422
4-(dibutylamino)-2-(trifluoromethyl)benzonitrile
CID 11392366
6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133097382
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)benzonitrile
CID 61102092
4-(diethylamino)-2-(trifluoromethyl)benzonitrile
CID 11356913
4-[methyl(2-methylsulfanylethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 112698451
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
CID 106795797
ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 142280419
4-[2-[ethyl(methyl)amino]ethylamino]-2-(trifluoromethyl)benzonitrile
CID 62641514
4-[3-(dimethylamino)propyl-ethylamino]-2-(trifluoromethyl)benzonitrile
CID 102993184
4-butyl-2-(trifluoromethyl)benzonitrile
CID 142021145

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 143050629) is 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is CCCN(C)c1cc(C(F)(F)F)c(C#N)cn1.
What is the InChIKey of 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WZHYNERGIHORGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-3-4-17(2)10-5-9(11(12,13)14)8(6-15)7-16-10/h5,7H,3-4H2,1-2H3.
What are the key properties of 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 143050629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).