[2-(2-chlorophenoxy)-4-pyridinyl]methanol

C12H10ClNO2 — CID 61256084

IUPAC[2-(2-chlorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccnc(Oc2ccccc2Cl)c1
InChIInChI=1S/C12H10ClNO2/c13-10-3-1-2-4-11(10)16-12-7-9(8-15)5-6-14-12/h1-7,15H,8H2
InChIKeyBAUFMJOYEVKMNC-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.02
Rot. Bonds3

About [2-(2-chlorophenoxy)-4-pyridinyl]methanol

[2-(2-chlorophenoxy)-4-pyridinyl]methanol (PubChem CID 61256084) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is [2-(2-chlorophenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-chlorophenoxy)-4-pyridinyl]methanol
PubChem CID61256084
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name[2-(2-chlorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccnc(Oc2ccccc2Cl)c1
InChIInChI=1S/C12H10ClNO2/c13-10-3-1-2-4-11(10)16-12-7-9(8-15)5-6-14-12/h1-7,15H,8H2
InChIKeyBAUFMJOYEVKMNC-UHFFFAOYSA-N
XLogP3.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-(2-chlorophenoxy)-4-pyridinyl]methanol (CID 61256084) is [2-(2-chlorophenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(2-chlorophenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-(2-chlorophenoxy)-4-pyridinyl]methanol is OCc1ccnc(Oc2ccccc2Cl)c1.
What is the InChIKey of [2-(2-chlorophenoxy)-4-pyridinyl]methanol?
The InChIKey is BAUFMJOYEVKMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-10-3-1-2-4-11(10)16-12-7-9(8-15)5-6-14-12/h1-7,15H,8H2.
What are the key properties of [2-(2-chlorophenoxy)-4-pyridinyl]methanol?
[2-(2-chlorophenoxy)-4-pyridinyl]methanol has a molecular weight of 235.67 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 61256084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).