2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H14F3N3O — CID 97078536

IUPAC2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-4-3-9(7-18)13(20-11)19-10-5-6-21-12(10)8-1-2-8/h3-4,8,10,12H,1-2,5-6H2,(H,19,20)/t10-,12+/m1/s1
InChIKeyPNHMEXVQIUCVCF-PWSUYJOCSA-N
MW297.28 g/mol
LogP2.95
Rot. Bonds3

About 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 97078536) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID97078536
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-4-3-9(7-18)13(20-11)19-10-5-6-21-12(10)8-1-2-8/h3-4,8,10,12H,1-2,5-6H2,(H,19,20)/t10-,12+/m1/s1
InChIKeyPNHMEXVQIUCVCF-PWSUYJOCSA-N
XLogP2.95
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S,3S)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 97078537
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875711
2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115880992
2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966229
2-[[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133407024
2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106130022
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-cyclopropylpropanoic acid
CID 79874530
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile
CID 106213558
2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966118

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 97078536) is 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@H]1C1CC1.
What is the InChIKey of 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PNHMEXVQIUCVCF-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)11-4-3-9(7-18)13(20-11)19-10-5-6-21-12(10)8-1-2-8/h3-4,8,10,12H,1-2,5-6H2,(H,19,20)/t10-,12+/m1/s1.
What are the key properties of 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 297.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 97078536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).