(4,5-difluoro-2-pyridin-3-ylphenyl)methanol

C12H9F2NO — CID 141349558

IUPAC(4,5-difluoro-2-pyridin-3-ylphenyl)methanol
SMILESOCc1cc(F)c(F)cc1-c1cccnc1
InChIInChI=1S/C12H9F2NO/c13-11-4-9(7-16)10(5-12(11)14)8-2-1-3-15-6-8/h1-6,16H,7H2
InChIKeySTFSYJJAFIVXOT-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.52
Rot. Bonds2

About (4,5-difluoro-2-pyridin-3-ylphenyl)methanol

(4,5-difluoro-2-pyridin-3-ylphenyl)methanol (PubChem CID 141349558) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is (4,5-difluoro-2-pyridin-3-ylphenyl)methanol.

Molecular Properties

Compound Name(4,5-difluoro-2-pyridin-3-ylphenyl)methanol
PubChem CID141349558
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(4,5-difluoro-2-pyridin-3-ylphenyl)methanol
SMILESOCc1cc(F)c(F)cc1-c1cccnc1
InChIInChI=1S/C12H9F2NO/c13-11-4-9(7-16)10(5-12(11)14)8-2-1-3-15-6-8/h1-6,16H,7H2
InChIKeySTFSYJJAFIVXOT-UHFFFAOYSA-N
XLogP2.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-6-pyridin-3-ylphenyl)methanol
CID 46315600
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
3-(2-fluoro-4-iodo-5-pyridin-3-ylphenyl)pyridine
CID 46316515
3-fluoro-4-pyridin-3-ylphenol
CID 46315770
(2-methyl-5-pyridin-3-ylphenyl)methanol
CID 153475584
ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799

Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-pyridin-3-ylphenyl)methanol?
The IUPAC name of (4,5-difluoro-2-pyridin-3-ylphenyl)methanol (CID 141349558) is (4,5-difluoro-2-pyridin-3-ylphenyl)methanol.
What is the SMILES notation for (4,5-difluoro-2-pyridin-3-ylphenyl)methanol?
The canonical SMILES for (4,5-difluoro-2-pyridin-3-ylphenyl)methanol is OCc1cc(F)c(F)cc1-c1cccnc1.
What is the InChIKey of (4,5-difluoro-2-pyridin-3-ylphenyl)methanol?
The InChIKey is STFSYJJAFIVXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c13-11-4-9(7-16)10(5-12(11)14)8-2-1-3-15-6-8/h1-6,16H,7H2.
What are the key properties of (4,5-difluoro-2-pyridin-3-ylphenyl)methanol?
(4,5-difluoro-2-pyridin-3-ylphenyl)methanol has a molecular weight of 221.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-2-pyridin-3-ylphenyl)methanol is sourced from PubChem (CID 141349558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).