1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol

C14H13F2NO2 — CID 83125403

IUPAC1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCOc1cccc(C(C)(O)c2ccc(F)cn2)c1F
InChIInChI=1S/C14H13F2NO2/c1-14(18,12-7-6-9(15)8-17-12)10-4-3-5-11(19-2)13(10)16/h3-8,18H,1-2H3
InChIKeyPPSYMVPNCJRLFW-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.62
Rot. Bonds3

About 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol

1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 83125403) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID83125403
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCOc1cccc(C(C)(O)c2ccc(F)cn2)c1F
InChIInChI=1S/C14H13F2NO2/c1-14(18,12-7-6-9(15)8-17-12)10-4-3-5-11(19-2)13(10)16/h3-8,18H,1-2H3
InChIKeyPPSYMVPNCJRLFW-UHFFFAOYSA-N
XLogP2.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940775
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 114743705
1-(5-fluoro-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514737
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylphenyl)ethanol
CID 82806005
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82805505
1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124846
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 82805823
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124686
1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707464
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125325

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 83125403) is 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol is COc1cccc(C(C)(O)c2ccc(F)cn2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is PPSYMVPNCJRLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-14(18,12-7-6-9(15)8-17-12)10-4-3-5-11(19-2)13(10)16/h3-8,18H,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 265.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 83125403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).