[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol

C13H12FNO2 — CID 62074951

IUPAC[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
SMILESCc1ccc(Oc2ccc(CO)cc2F)cn1
InChIInChI=1S/C13H12FNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-7,16H,8H2,1H3
InChIKeyQIQBJBKKJYZOGS-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.81
Rot. Bonds3

About [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol

[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol (PubChem CID 62074951) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
PubChem CID62074951
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
SMILESCc1ccc(Oc2ccc(CO)cc2F)cn1
InChIInChI=1S/C13H12FNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-7,16H,8H2,1H3
InChIKeyQIQBJBKKJYZOGS-UHFFFAOYSA-N
XLogP2.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol (CID 62074951) is [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol is Cc1ccc(Oc2ccc(CO)cc2F)cn1.
What is the InChIKey of [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol?
The InChIKey is QIQBJBKKJYZOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-7,16H,8H2,1H3.
What are the key properties of [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol?
[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol has a molecular weight of 233.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol is sourced from PubChem (CID 62074951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).