[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol

C8H8F3NO — CID 2760122

IUPAC[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1nc(C(F)(F)F)ccc1CO
InChIInChI=1S/C8H8F3NO/c1-5-6(4-13)2-3-7(12-5)8(9,10)11/h2-3,13H,4H2,1H3
InChIKeyPXDNFCWBWHATSU-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.90
Rot. Bonds1

About [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol

[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 2760122) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID2760122
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1nc(C(F)(F)F)ccc1CO
InChIInChI=1S/C8H8F3NO/c1-5-6(4-13)2-3-7(12-5)8(9,10)11/h2-3,13H,4H2,1H3
InChIKeyPXDNFCWBWHATSU-UHFFFAOYSA-N
XLogP1.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 2760122) is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol is Cc1nc(C(F)(F)F)ccc1CO.
What is the InChIKey of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is PXDNFCWBWHATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5-6(4-13)2-3-7(12-5)8(9,10)11/h2-3,13H,4H2,1H3.
What are the key properties of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 191.15 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 2760122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).