6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile

C13H14F3N3O — CID 124887051

IUPAC6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCCN(c1ccc(C(F)(F)F)c(C#N)n1)[C@H]1CCOC1
InChIInChI=1S/C13H14F3N3O/c1-2-19(9-5-6-20-8-9)12-4-3-10(13(14,15)16)11(7-17)18-12/h3-4,9H,2,5-6,8H2,1H3/t9-/m0/s1
InChIKeyLZWBFIGQTPEDPK-VIFPVBQESA-N
MW285.27 g/mol
LogP2.59
Rot. Bonds3

About 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile

6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 124887051) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID124887051
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCCN(c1ccc(C(F)(F)F)c(C#N)n1)[C@H]1CCOC1
InChIInChI=1S/C13H14F3N3O/c1-2-19(9-5-6-20-8-9)12-4-3-10(13(14,15)16)11(7-17)18-12/h3-4,9H,2,5-6,8H2,1H3/t9-/m0/s1
InChIKeyLZWBFIGQTPEDPK-VIFPVBQESA-N
XLogP2.59
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 124887051) is 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile is CCN(c1ccc(C(F)(F)F)c(C#N)n1)[C@H]1CCOC1.
What is the InChIKey of 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is LZWBFIGQTPEDPK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-2-19(9-5-6-20-8-9)12-4-3-10(13(14,15)16)11(7-17)18-12/h3-4,9H,2,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile?
6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 285.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 124887051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).