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

C8H5F3N2 — CID 11159730

IUPAC2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nccc(C(F)(F)F)c1C#N
InChIInChI=1S/C8H5F3N2/c1-5-6(4-12)7(2-3-13-5)8(9,10)11/h2-3H,1H3
InChIKeyDCBBDTBBFOYQQC-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.28
Rot. Bonds

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

2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11159730) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11159730
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nccc(C(F)(F)F)c1C#N
InChIInChI=1S/C8H5F3N2/c1-5-6(4-12)7(2-3-13-5)8(9,10)11/h2-3H,1H3
InChIKeyDCBBDTBBFOYQQC-UHFFFAOYSA-N
XLogP2.28
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11159730) is 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1nccc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DCBBDTBBFOYQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c1-5-6(4-12)7(2-3-13-5)8(9,10)11/h2-3H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 186.14 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11159730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).