6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol

C12H7F4NO — CID 133091792

IUPAC6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESOc1cnc(F)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F4NO/c13-11-5-9(10(18)6-17-11)7-2-1-3-8(4-7)12(14,15)16/h1-6,18H
InChIKeyMDPOWQXYBCVWSZ-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.61
Rot. Bonds1

About 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol

6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol (PubChem CID 133091792) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
PubChem CID133091792
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESOc1cnc(F)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F4NO/c13-11-5-9(10(18)6-17-11)7-2-1-3-8(4-7)12(14,15)16/h1-6,18H
InChIKeyMDPOWQXYBCVWSZ-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092048
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 133089826
2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
CID 134627781

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The IUPAC name of 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol (CID 133091792) is 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol.
What is the SMILES notation for 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The canonical SMILES for 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol is Oc1cnc(F)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The InChIKey is MDPOWQXYBCVWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-11-5-9(10(18)6-17-11)7-2-1-3-8(4-7)12(14,15)16/h1-6,18H.
What are the key properties of 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol has a molecular weight of 257.19 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol is sourced from PubChem (CID 133091792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).