6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile

C8H7F3N2 — CID 143808987

IUPAC6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile
SMILESCC1=CC(C(F)(F)F)=CC(C#N)N1
InChIInChI=1S/C8H7F3N2/c1-5-2-6(8(9,10)11)3-7(4-12)13-5/h2-3,7,13H,1H3
InChIKeyBCJCCHIAZGBLTR-UHFFFAOYSA-N
MW188.15 g/mol
LogP1.87
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile

6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile (PubChem CID 143808987) has the molecular formula C8H7F3N2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile
PubChem CID143808987
Molecular FormulaC8H7F3N2
Molecular Weight188.15 g/mol
Exact Mass188.06
IUPAC Name6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile
SMILESCC1=CC(C(F)(F)F)=CC(C#N)N1
InChIInChI=1S/C8H7F3N2/c1-5-2-6(8(9,10)11)3-7(4-12)13-5/h2-3,7,13H,1H3
InChIKeyBCJCCHIAZGBLTR-UHFFFAOYSA-N
XLogP1.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile (CID 143808987) is 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile is CC1=CC(C(F)(F)F)=CC(C#N)N1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile?
The InChIKey is BCJCCHIAZGBLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2/c1-5-2-6(8(9,10)11)3-7(4-12)13-5/h2-3,7,13H,1H3.
What are the key properties of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile?
6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile has a molecular weight of 188.15 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 143808987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).