6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol

C7H8F3NO — CID 163755331

IUPAC6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol
SMILESCC1=CC(C(F)(F)F)=CC(O)N1
InChIInChI=1S/C7H8F3NO/c1-4-2-5(7(8,9)10)3-6(12)11-4/h2-3,6,11-12H,1H3
InChIKeyLTOLJTGOIKPSIA-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.30
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol

6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol (PubChem CID 163755331) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol
PubChem CID163755331
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol
SMILESCC1=CC(C(F)(F)F)=CC(O)N1
InChIInChI=1S/C7H8F3NO/c1-4-2-5(7(8,9)10)3-6(12)11-4/h2-3,6,11-12H,1H3
InChIKeyLTOLJTGOIKPSIA-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol (CID 163755331) is 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol is CC1=CC(C(F)(F)F)=CC(O)N1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol?
The InChIKey is LTOLJTGOIKPSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4-2-5(7(8,9)10)3-6(12)11-4/h2-3,6,11-12H,1H3.
What are the key properties of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol?
6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol has a molecular weight of 179.14 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 163755331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).