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

C12H9ClFNO2 — CID 116689765

IUPAC[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccnc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H9ClFNO2/c13-9-2-1-3-10(12(9)14)17-11-6-8(7-16)4-5-15-11/h1-6,16H,7H2
InChIKeyZUNCLQFYUZYHHT-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.16
Rot. Bonds3

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

[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol (PubChem CID 116689765) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
PubChem CID116689765
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC Name[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccnc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H9ClFNO2/c13-9-2-1-3-10(12(9)14)17-11-6-8(7-16)4-5-15-11/h1-6,16H,7H2
InChIKeyZUNCLQFYUZYHHT-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

[2-(2-chlorophenoxy)-4-pyridinyl]methanol
CID 61256084
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689946
[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
CID 116689764
(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol
CID 104892705
[2-(2,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 61256718
[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689756
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
CID 61255659
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 116689319

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol (CID 116689765) is [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol is OCc1ccnc(Oc2cccc(Cl)c2F)c1.
What is the InChIKey of [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The InChIKey is ZUNCLQFYUZYHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c13-9-2-1-3-10(12(9)14)17-11-6-8(7-16)4-5-15-11/h1-6,16H,7H2.
What are the key properties of [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
[2-(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 [2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 116689765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).