5-(chloromethyl)-2-methoxy-4-methylpyridine

C8H10ClNO — CID 13449093

IUPAC5-(chloromethyl)-2-methoxy-4-methylpyridine
SMILESCOc1cc(C)c(CCl)cn1
InChIInChI=1S/C8H10ClNO/c1-6-3-8(11-2)10-5-7(6)4-9/h3,5H,4H2,1-2H3
InChIKeyLQOSCJVJSJJGLA-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.14
Rot. Bonds2

About 5-(chloromethyl)-2-methoxy-4-methylpyridine

5-(chloromethyl)-2-methoxy-4-methylpyridine (PubChem CID 13449093) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methoxy-4-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methoxy-4-methylpyridine
PubChem CID13449093
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name5-(chloromethyl)-2-methoxy-4-methylpyridine
SMILESCOc1cc(C)c(CCl)cn1
InChIInChI=1S/C8H10ClNO/c1-6-3-8(11-2)10-5-7(6)4-9/h3,5H,4H2,1-2H3
InChIKeyLQOSCJVJSJJGLA-UHFFFAOYSA-N
XLogP2.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methoxy-4-methylpyridine?
The IUPAC name of 5-(chloromethyl)-2-methoxy-4-methylpyridine (CID 13449093) is 5-(chloromethyl)-2-methoxy-4-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methoxy-4-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-2-methoxy-4-methylpyridine is COc1cc(C)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methoxy-4-methylpyridine?
The InChIKey is LQOSCJVJSJJGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-6-3-8(11-2)10-5-7(6)4-9/h3,5H,4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-methoxy-4-methylpyridine?
5-(chloromethyl)-2-methoxy-4-methylpyridine has a molecular weight of 171.63 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methoxy-4-methylpyridine is sourced from PubChem (CID 13449093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).