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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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).