2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C9H7F3N2O — CID 2728499

IUPAC2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1nc(C)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C9H7F3N2O/c1-5-3-7(9(10,11)12)6(4-13)8(14-5)15-2/h3H,1-2H3
InChIKeyKAIJYHLHJWAQJW-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.29
Rot. Bonds1

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

2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2728499) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2728499
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1nc(C)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C9H7F3N2O/c1-5-3-7(9(10,11)12)6(4-13)8(14-5)15-2/h3H,1-2H3
InChIKeyKAIJYHLHJWAQJW-UHFFFAOYSA-N
XLogP2.29
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2728499) is 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is COc1nc(C)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is KAIJYHLHJWAQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-5-3-7(9(10,11)12)6(4-13)8(14-5)15-2/h3H,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 216.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2728499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).