[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol

C12H9ClFNO2 — CID 105067223

IUPAC[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccncc1Oc1cccc(Cl)c1F
InChIInChI=1S/C12H9ClFNO2/c13-9-2-1-3-10(12(9)14)17-11-6-15-5-4-8(11)7-16/h1-6,16H,7H2
InChIKeyJSXVOVUGGXLWMU-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.16
Rot. Bonds3

About [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol

[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol (PubChem CID 105067223) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
PubChem CID105067223
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC Name[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccncc1Oc1cccc(Cl)c1F
InChIInChI=1S/C12H9ClFNO2/c13-9-2-1-3-10(12(9)14)17-11-6-15-5-4-8(11)7-16/h1-6,16H,7H2
InChIKeyJSXVOVUGGXLWMU-UHFFFAOYSA-N
XLogP3.16
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 116689981
N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
CID 105067210
2-[2-[[4-(hydroxymethyl)-3-pyridinyl]oxy]phenyl]ethanol
CID 107713866
[3-(3,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 105067098
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105067086
[2-(2-chlorophenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383259
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075167
[3-[3-(dimethylamino)phenoxy]-4-pyridinyl]methanol
CID 105067102

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The IUPAC name of [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol (CID 105067223) is [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol is OCc1ccncc1Oc1cccc(Cl)c1F.
What is the InChIKey of [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The InChIKey is JSXVOVUGGXLWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c13-9-2-1-3-10(12(9)14)17-11-6-15-5-4-8(11)7-16/h1-6,16H,7H2.
What are the key properties of [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol has a molecular weight of 253.66 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 105067223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).