[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol

C13H12ClNO2 — CID 62672212

IUPAC[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
SMILESCc1ccc(Oc2ccc(CO)cn2)c(Cl)c1
InChIInChI=1S/C13H12ClNO2/c1-9-2-4-12(11(14)6-9)17-13-5-3-10(8-16)7-15-13/h2-7,16H,8H2,1H3
InChIKeyIZYTWSXLLJSQNE-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.33
Rot. Bonds3

About [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol

[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol (PubChem CID 62672212) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
PubChem CID62672212
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
SMILESCc1ccc(Oc2ccc(CO)cn2)c(Cl)c1
InChIInChI=1S/C13H12ClNO2/c1-9-2-4-12(11(14)6-9)17-13-5-3-10(8-16)7-15-13/h2-7,16H,8H2,1H3
InChIKeyIZYTWSXLLJSQNE-UHFFFAOYSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076
[4-(2-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606
[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 112572733
3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373102
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanol
CID 64855240
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
[6-(2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255694

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol (CID 62672212) is [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol is Cc1ccc(Oc2ccc(CO)cn2)c(Cl)c1.
What is the InChIKey of [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol?
The InChIKey is IZYTWSXLLJSQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9-2-4-12(11(14)6-9)17-13-5-3-10(8-16)7-15-13/h2-7,16H,8H2,1H3.
What are the key properties of [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol?
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol has a molecular weight of 249.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 62672212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).