[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol

C20H17ClFNO2 — CID 58019920

IUPAC[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol
SMILESCOc1ccc(Cc2ccc(CO)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C20H17ClFNO2/c1-25-18-8-6-15(9-13-5-7-17(12-24)23-11-13)20(22)19(18)14-3-2-4-16(21)10-14/h2-8,10-11,24H,9,12H2,1H3
InChIKeyWYQBUKDUFJQJGB-UHFFFAOYSA-N
MW357.81 g/mol
LogP4.63
Rot. Bonds5

About [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol

[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol (PubChem CID 58019920) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol
PubChem CID58019920
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC Name[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol
SMILESCOc1ccc(Cc2ccc(CO)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C20H17ClFNO2/c1-25-18-8-6-15(9-13-5-7-17(12-24)23-11-13)20(22)19(18)14-3-2-4-16(21)10-14/h2-8,10-11,24H,9,12H2,1H3
InChIKeyWYQBUKDUFJQJGB-UHFFFAOYSA-N
XLogP4.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
(4-Chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56679074
[(2S)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-methylphenoxy]ethyl]pyrrolidin-2-yl]methanol
CID 59835879
(S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol
CID 89524608
3-(4-{[1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrrol-2-yl]methoxy}-2,3-dimethylphenyl)propan-1-ol
CID 90407027
(4-Chlorophenyl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
CID 56682759
(4-Chlorophenyl)-(2-fluoro-4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 57522241
2-[[2-(4-Methoxyphenyl)-4-methylphenoxy]methyl]pyridine
CID 145980993
1-[4-(13-Chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 155549599
2-(3-chlorophenyl)-3-(111C)methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168269904
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-methoxyphenyl)methanol
CID 4522761
N-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridin-3-amine
CID 141732285

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol?
The IUPAC name of [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol (CID 58019920) is [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol is COc1ccc(Cc2ccc(CO)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol?
The InChIKey is WYQBUKDUFJQJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c1-25-18-8-6-15(9-13-5-7-17(12-24)23-11-13)20(22)19(18)14-3-2-4-16(21)10-14/h2-8,10-11,24H,9,12H2,1H3.
What are the key properties of [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol?
[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol has a molecular weight of 357.81 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 58019920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).