[4-(trifluoromethyl)-3-pyridinyl]methanediol

C7H6F3NO2 — CID 162592484

IUPAC[4-(trifluoromethyl)-3-pyridinyl]methanediol
SMILESOC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3,6,12-13H
InChIKeyCIZKYGKDICWGRE-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.08
Rot. Bonds1

About [4-(trifluoromethyl)-3-pyridinyl]methanediol

[4-(trifluoromethyl)-3-pyridinyl]methanediol (PubChem CID 162592484) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is [4-(trifluoromethyl)-3-pyridinyl]methanediol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-3-pyridinyl]methanediol
PubChem CID162592484
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name[4-(trifluoromethyl)-3-pyridinyl]methanediol
SMILESOC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3,6,12-13H
InChIKeyCIZKYGKDICWGRE-UHFFFAOYSA-N
XLogP1.08
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 171878084
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710195
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]methanediol?
The IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]methanediol (CID 162592484) is [4-(trifluoromethyl)-3-pyridinyl]methanediol.
What is the SMILES notation for [4-(trifluoromethyl)-3-pyridinyl]methanediol?
The canonical SMILES for [4-(trifluoromethyl)-3-pyridinyl]methanediol is OC(O)c1cnccc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)-3-pyridinyl]methanediol?
The InChIKey is CIZKYGKDICWGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3,6,12-13H.
What are the key properties of [4-(trifluoromethyl)-3-pyridinyl]methanediol?
[4-(trifluoromethyl)-3-pyridinyl]methanediol has a molecular weight of 193.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-3-pyridinyl]methanediol is sourced from PubChem (CID 162592484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).