6-chloro-2-methoxy-3-propan-2-ylpyridine

C9H12ClNO — CID 130325202

IUPAC6-chloro-2-methoxy-3-propan-2-ylpyridine
SMILESCOc1nc(Cl)ccc1C(C)C
InChIInChI=1S/C9H12ClNO/c1-6(2)7-4-5-8(10)11-9(7)12-3/h4-6H,1-3H3
InChIKeyOJCOXNPRDCPBRR-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.87
Rot. Bonds2

About 6-chloro-2-methoxy-3-propan-2-ylpyridine

6-chloro-2-methoxy-3-propan-2-ylpyridine (PubChem CID 130325202) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 6-chloro-2-methoxy-3-propan-2-ylpyridine.

Molecular Properties

Compound Name6-chloro-2-methoxy-3-propan-2-ylpyridine
PubChem CID130325202
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name6-chloro-2-methoxy-3-propan-2-ylpyridine
SMILESCOc1nc(Cl)ccc1C(C)C
InChIInChI=1S/C9H12ClNO/c1-6(2)7-4-5-8(10)11-9(7)12-3/h4-6H,1-3H3
InChIKeyOJCOXNPRDCPBRR-UHFFFAOYSA-N
XLogP2.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-2-methoxy-3-propan-2-ylpyridine 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 6-chloro-2-methoxy-3-propan-2-ylpyridine?
The IUPAC name of 6-chloro-2-methoxy-3-propan-2-ylpyridine (CID 130325202) is 6-chloro-2-methoxy-3-propan-2-ylpyridine.
What is the SMILES notation for 6-chloro-2-methoxy-3-propan-2-ylpyridine?
The canonical SMILES for 6-chloro-2-methoxy-3-propan-2-ylpyridine is COc1nc(Cl)ccc1C(C)C.
What is the InChIKey of 6-chloro-2-methoxy-3-propan-2-ylpyridine?
The InChIKey is OJCOXNPRDCPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6(2)7-4-5-8(10)11-9(7)12-3/h4-6H,1-3H3.
What are the key properties of 6-chloro-2-methoxy-3-propan-2-ylpyridine?
6-chloro-2-methoxy-3-propan-2-ylpyridine has a molecular weight of 185.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-3-propan-2-ylpyridine is sourced from PubChem (CID 130325202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).