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

C8H9Cl2NO — CID 58201184

IUPAC3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine
SMILESCOc1c(CCl)cnc(C)c1Cl
InChIInChI=1S/C8H9Cl2NO/c1-5-7(10)8(12-2)6(3-9)4-11-5/h4H,3H2,1-2H3
InChIKeyWGHWZRCBSZEKOZ-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.79
Rot. Bonds2

About 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine

3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine (PubChem CID 58201184) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine
PubChem CID58201184
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine
SMILESCOc1c(CCl)cnc(C)c1Cl
InChIInChI=1S/C8H9Cl2NO/c1-5-7(10)8(12-2)6(3-9)4-11-5/h4H,3H2,1-2H3
InChIKeyWGHWZRCBSZEKOZ-UHFFFAOYSA-N
XLogP2.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.79
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 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine (CID 58201184) is 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine is COc1c(CCl)cnc(C)c1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine?
The InChIKey is WGHWZRCBSZEKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-5-7(10)8(12-2)6(3-9)4-11-5/h4H,3H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine?
3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine has a molecular weight of 206.07 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine is sourced from PubChem (CID 58201184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).