[2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol

C9H12F3NO — CID 67272592

IUPAC[2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol
SMILESCC1=CC(C(F)(F)F)=CNC1(C)CO
InChIInChI=1S/C9H12F3NO/c1-6-3-7(9(10,11)12)4-13-8(6,2)5-14/h3-4,13-14H,5H2,1-2H3
InChIKeyRRYJCZWMQUSMNS-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.73
Rot. Bonds1

About [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol

[2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol (PubChem CID 67272592) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol
PubChem CID67272592
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name[2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol
SMILESCC1=CC(C(F)(F)F)=CNC1(C)CO
InChIInChI=1S/C9H12F3NO/c1-6-3-7(9(10,11)12)4-13-8(6,2)5-14/h3-4,13-14H,5H2,1-2H3
InChIKeyRRYJCZWMQUSMNS-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol?
The IUPAC name of [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol (CID 67272592) is [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol.
What is the SMILES notation for [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol?
The canonical SMILES for [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol is CC1=CC(C(F)(F)F)=CNC1(C)CO.
What is the InChIKey of [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol?
The InChIKey is RRYJCZWMQUSMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6-3-7(9(10,11)12)4-13-8(6,2)5-14/h3-4,13-14H,5H2,1-2H3.
What are the key properties of [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol?
[2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol has a molecular weight of 207.19 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol is sourced from PubChem (CID 67272592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).