(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol

C12H5F6NO — CID 115833939

IUPAC(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1ccncc1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F6NO/c13-5-3-19-2-1-4(5)12(20)6-7(14)9(16)11(18)10(17)8(6)15/h1-3,12,20H
InChIKeyVNZKFLHCJHBYDH-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.00
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol

(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 115833939) has the molecular formula C12H5F6NO and a molecular weight of 293.17 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID115833939
Molecular FormulaC12H5F6NO
Molecular Weight293.17 g/mol
Exact Mass293.03
IUPAC Name(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1ccncc1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F6NO/c13-5-3-19-2-1-4(5)12(20)6-7(14)9(16)11(18)10(17)8(6)15/h1-3,12,20H
InChIKeyVNZKFLHCJHBYDH-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256
(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol
CID 104737732
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624
(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol
CID 104738089
(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
CID 104737555
(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104737571
(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol
CID 105126834
(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 82819933
(3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 104737561
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol (CID 115833939) is (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol is OC(c1ccncc1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is VNZKFLHCJHBYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F6NO/c13-5-3-19-2-1-4(5)12(20)6-7(14)9(16)11(18)10(17)8(6)15/h1-3,12,20H.
What are the key properties of (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 293.17 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 115833939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).