2-chloro-3-(methoxymethyl)pyridine

C7H8ClNO — CID 14012749

IUPAC2-chloro-3-(methoxymethyl)pyridine
SMILESCOCc1cccnc1Cl
InChIInChI=1S/C7H8ClNO/c1-10-5-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3
InChIKeyITSIATNTOQEGAL-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.88
Rot. Bonds2

About 2-chloro-3-(methoxymethyl)pyridine

2-chloro-3-(methoxymethyl)pyridine (PubChem CID 14012749) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-chloro-3-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(methoxymethyl)pyridine
PubChem CID14012749
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name2-chloro-3-(methoxymethyl)pyridine
SMILESCOCc1cccnc1Cl
InChIInChI=1S/C7H8ClNO/c1-10-5-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3
InChIKeyITSIATNTOQEGAL-UHFFFAOYSA-N
XLogP1.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-(methoxymethyl)pyridine 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 2-chloro-3-(methoxymethyl)pyridine?
The IUPAC name of 2-chloro-3-(methoxymethyl)pyridine (CID 14012749) is 2-chloro-3-(methoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(methoxymethyl)pyridine?
The canonical SMILES for 2-chloro-3-(methoxymethyl)pyridine is COCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(methoxymethyl)pyridine?
The InChIKey is ITSIATNTOQEGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-10-5-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3.
What are the key properties of 2-chloro-3-(methoxymethyl)pyridine?
2-chloro-3-(methoxymethyl)pyridine has a molecular weight of 157.60 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(methoxymethyl)pyridine is sourced from PubChem (CID 14012749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).