6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C12H12F3N3O — CID 3789900

IUPAC6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C12H12F3N3O/c1-8-6-10(12(13,14)15)9(7-16)11(17-8)18-2-4-19-5-3-18/h6H,2-5H2,1H3
InChIKeyUFNBHNWNVMMUCR-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.12
Rot. Bonds1

About 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 3789900) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID3789900
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C12H12F3N3O/c1-8-6-10(12(13,14)15)9(7-16)11(17-8)18-2-4-19-5-3-18/h6H,2-5H2,1H3
InChIKeyUFNBHNWNVMMUCR-UHFFFAOYSA-N
XLogP2.12
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 3789900) is 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)c(C#N)c(N2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is UFNBHNWNVMMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8-6-10(12(13,14)15)9(7-16)11(17-8)18-2-4-19-5-3-18/h6H,2-5H2,1H3.
What are the key properties of 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 271.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3789900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).