[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol

C12H9Cl2NO2 — CID 61256108

IUPAC[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol
SMILESOCc1cc(Oc2cc(Cl)cc(Cl)c2)ccn1
InChIInChI=1S/C12H9Cl2NO2/c13-8-3-9(14)5-12(4-8)17-11-1-2-15-10(6-11)7-16/h1-6,16H,7H2
InChIKeyLXDNPOWQESYKRI-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.67
Rot. Bonds3

About [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol

[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol (PubChem CID 61256108) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol
PubChem CID61256108
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol
SMILESOCc1cc(Oc2cc(Cl)cc(Cl)c2)ccn1
InChIInChI=1S/C12H9Cl2NO2/c13-8-3-9(14)5-12(4-8)17-11-1-2-15-10(6-11)7-16/h1-6,16H,7H2
InChIKeyLXDNPOWQESYKRI-UHFFFAOYSA-N
XLogP3.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol (CID 61256108) is [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol is OCc1cc(Oc2cc(Cl)cc(Cl)c2)ccn1.
What is the InChIKey of [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol?
The InChIKey is LXDNPOWQESYKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-8-3-9(14)5-12(4-8)17-11-1-2-15-10(6-11)7-16/h1-6,16H,7H2.
What are the key properties of [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol?
[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol has a molecular weight of 270.12 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 61256108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).