[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

C13H9F4NO2 — CID 133089327

IUPAC[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESOCc1ccc(-c2ccccc2OC(F)(F)F)nc1F
InChIInChI=1S/C13H9F4NO2/c14-12-8(7-19)5-6-10(18-12)9-3-1-2-4-11(9)20-13(15,16)17/h1-6,19H,7H2
InChIKeyCSIPPNDBUYLRAZ-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.28
Rot. Bonds3

About [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (PubChem CID 133089327) has the molecular formula C13H9F4NO2 and a molecular weight of 287.21 g/mol. Its IUPAC name is [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
PubChem CID133089327
Molecular FormulaC13H9F4NO2
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESOCc1ccc(-c2ccccc2OC(F)(F)F)nc1F
InChIInChI=1S/C13H9F4NO2/c14-12-8(7-19)5-6-10(18-12)9-3-1-2-4-11(9)20-13(15,16)17/h1-6,19H,7H2
InChIKeyCSIPPNDBUYLRAZ-UHFFFAOYSA-N
XLogP3.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133093995
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134617951
[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol
CID 171382948
2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
CID 162334552
[2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118848836
[2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 118802410
2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 134620549
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 134662814

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (CID 133089327) is [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is OCc1ccc(-c2ccccc2OC(F)(F)F)nc1F.
What is the InChIKey of [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The InChIKey is CSIPPNDBUYLRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2/c14-12-8(7-19)5-6-10(18-12)9-3-1-2-4-11(9)20-13(15,16)17/h1-6,19H,7H2.
What are the key properties of [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol has a molecular weight of 287.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 133089327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).