2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H12F3N3O — CID 78966425

IUPAC2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCC1CCCO1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)10-4-3-8(6-16)11(18-10)17-7-9-2-1-5-19-9/h3-4,9H,1-2,5,7H2,(H,17,18)
InChIKeyXTHNDWUCQWPMFI-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.56
Rot. Bonds3

About 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966425) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966425
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCC1CCCO1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)10-4-3-8(6-16)11(18-10)17-7-9-2-1-5-19-9/h3-4,9H,1-2,5,7H2,(H,17,18)
InChIKeyXTHNDWUCQWPMFI-UHFFFAOYSA-N
XLogP2.56
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966118
2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869488
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965964
2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869424
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
2-[(1-hydroxycyclobutyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115629510
2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 97078536
2-[[(2S,3S)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 97078537
2-[2-(oxolan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79873637
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966425) is 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is XTHNDWUCQWPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)10-4-3-8(6-16)11(18-10)17-7-9-2-1-5-19-9/h3-4,9H,1-2,5,7H2,(H,17,18).
What are the key properties of 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 271.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).