5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol

C9H12ClNO2 — CID 504349

IUPAC5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
SMILESCOCc1c(CCl)cnc(C)c1O
InChIInChI=1S/C9H12ClNO2/c1-6-9(12)8(5-13-2)7(3-10)4-11-6/h4,12H,3,5H2,1-2H3
InChIKeyCEKWBQCOWGCKFB-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.98
Rot. Bonds3

About 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol

5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol (PubChem CID 504349) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
PubChem CID504349
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
SMILESCOCc1c(CCl)cnc(C)c1O
InChIInChI=1S/C9H12ClNO2/c1-6-9(12)8(5-13-2)7(3-10)4-11-6/h4,12H,3,5H2,1-2H3
InChIKeyCEKWBQCOWGCKFB-UHFFFAOYSA-N
XLogP1.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol (CID 504349) is 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol is COCc1c(CCl)cnc(C)c1O.
What is the InChIKey of 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol?
The InChIKey is CEKWBQCOWGCKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6-9(12)8(5-13-2)7(3-10)4-11-6/h4,12H,3,5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol?
5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol has a molecular weight of 201.65 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 504349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).