[2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol

C7H7F4NO — CID 131675809

IUPAC[2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol
SMILESOCC1(F)C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C7H7F4NO/c8-6(4-13)2-1-5(3-12-6)7(9,10)11/h1-3,12-13H,4H2
InChIKeySSSUXCALTNKFAL-UHFFFAOYSA-N
MW197.13 g/mol
LogP1.25
Rot. Bonds1

About [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol

[2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol (PubChem CID 131675809) has the molecular formula C7H7F4NO and a molecular weight of 197.13 g/mol. Its IUPAC name is [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol
PubChem CID131675809
Molecular FormulaC7H7F4NO
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name[2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol
SMILESOCC1(F)C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C7H7F4NO/c8-6(4-13)2-1-5(3-12-6)7(9,10)11/h1-3,12-13H,4H2
InChIKeySSSUXCALTNKFAL-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-Dimethyl-5-trifluoromethyl-pyridin-2-yl)-methanol
CID 67272592
[2-bromo-4-(trifluoromethyl)-1H-pyridin-2-yl]methanol
CID 140005492
[(2S)-4-[difluoro(iodo)methyl]-5-methyl-1,2-dihydropyridin-2-yl]methanol
CID 163706438
[2-(Trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
CID 164602683

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol?
The IUPAC name of [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol (CID 131675809) is [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol.
What is the SMILES notation for [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol?
The canonical SMILES for [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol is OCC1(F)C=CC(C(F)(F)F)=CN1.
What is the InChIKey of [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol?
The InChIKey is SSSUXCALTNKFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4NO/c8-6(4-13)2-1-5(3-12-6)7(9,10)11/h1-3,12-13H,4H2.
What are the key properties of [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol?
[2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol has a molecular weight of 197.13 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(trifluoromethyl)-1H-pyridin-2-yl]methanol is sourced from PubChem (CID 131675809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).