2-chloro-6-methoxy-3-methylpyridine

C7H8ClNO — CID 20714336

IUPAC2-chloro-6-methoxy-3-methylpyridine
SMILESCOc1ccc(C)c(Cl)n1
InChIInChI=1S/C7H8ClNO/c1-5-3-4-6(10-2)9-7(5)8/h3-4H,1-2H3
InChIKeyJXPLDXFZARSBIO-UHFFFAOYSA-N
MW157.60 g/mol
LogP2.05
Rot. Bonds1

About 2-chloro-6-methoxy-3-methylpyridine

2-chloro-6-methoxy-3-methylpyridine (PubChem CID 20714336) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-methylpyridine.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-methylpyridine
PubChem CID20714336
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name2-chloro-6-methoxy-3-methylpyridine
SMILESCOc1ccc(C)c(Cl)n1
InChIInChI=1S/C7H8ClNO/c1-5-3-4-6(10-2)9-7(5)8/h3-4H,1-2H3
InChIKeyJXPLDXFZARSBIO-UHFFFAOYSA-N
XLogP2.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-3-methylpyridine?
The IUPAC name of 2-chloro-6-methoxy-3-methylpyridine (CID 20714336) is 2-chloro-6-methoxy-3-methylpyridine.
What is the SMILES notation for 2-chloro-6-methoxy-3-methylpyridine?
The canonical SMILES for 2-chloro-6-methoxy-3-methylpyridine is COc1ccc(C)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxy-3-methylpyridine?
The InChIKey is JXPLDXFZARSBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-5-3-4-6(10-2)9-7(5)8/h3-4H,1-2H3.
What are the key properties of 2-chloro-6-methoxy-3-methylpyridine?
2-chloro-6-methoxy-3-methylpyridine has a molecular weight of 157.60 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-methylpyridine is sourced from PubChem (CID 20714336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).