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

C13H16F3N3 — CID 58873372

IUPAC2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(CCC)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H16F3N3/c1-3-7-19(8-4-2)12-10(9-17)5-6-11(18-12)13(14,15)16/h5-6H,3-4,7-8H2,1-2H3
InChIKeyFLPWVKJCALHVPD-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.60
Rot. Bonds5

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

2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58873372) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58873372
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(CCC)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H16F3N3/c1-3-7-19(8-4-2)12-10(9-17)5-6-11(18-12)13(14,15)16/h5-6H,3-4,7-8H2,1-2H3
InChIKeyFLPWVKJCALHVPD-UHFFFAOYSA-N
XLogP3.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79034050
2-[propan-2-yl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869680
2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966717
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid
CID 79869540
2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966431
2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876676
2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966327
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016
3-(dipropylamino)pyridazine-4-carbonitrile
CID 80508670
2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133413062
2-[cyclopentyl(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875315
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965959

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 58873372) is 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is CCCN(CCC)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FLPWVKJCALHVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-3-7-19(8-4-2)12-10(9-17)5-6-11(18-12)13(14,15)16/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58873372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).