[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol

C8H8F3NO2 — CID 130093342

IUPAC[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCc1ccnc(OC(F)(F)F)c1CO
InChIInChI=1S/C8H8F3NO2/c1-5-2-3-12-7(6(5)4-13)14-8(9,10)11/h2-3,13H,4H2,1H3
InChIKeyCSMALIRHLFTXCB-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.78
Rot. Bonds2

About [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol

[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 130093342) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID130093342
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCc1ccnc(OC(F)(F)F)c1CO
InChIInChI=1S/C8H8F3NO2/c1-5-2-3-12-7(6(5)4-13)14-8(9,10)11/h2-3,13H,4H2,1H3
InChIKeyCSMALIRHLFTXCB-UHFFFAOYSA-N
XLogP1.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130092556
[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089738
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118831271
2-[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130092527
(4-fluoro-2-methoxy-3-pyridinyl)methanol
CID 131145721
(2-ethenyl-4-methyl-3-pyridinyl)methanol
CID 74888484
3-bromo-2-(trifluoromethoxy)pyridin-4-amine
CID 130088966
3-ethyl-2-(trifluoromethoxy)pyridine
CID 166104126
[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 134671793
4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
CID 118840248
[2-methoxy-6-(trifluoromethoxy)phenyl]methanol
CID 134638773

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 130093342) is [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol is Cc1ccnc(OC(F)(F)F)c1CO.
What is the InChIKey of [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is CSMALIRHLFTXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-5-2-3-12-7(6(5)4-13)14-8(9,10)11/h2-3,13H,4H2,1H3.
What are the key properties of [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 207.15 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 130093342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).