5-chloro-3-(chloromethyl)-2-methoxypyridine

C7H7Cl2NO — CID 22248598

IUPAC5-chloro-3-(chloromethyl)-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1CCl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-5(3-8)2-6(9)4-10-7/h2,4H,3H2,1H3
InChIKeyFUIXVOHMCCYFNC-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.48
Rot. Bonds2

About 5-chloro-3-(chloromethyl)-2-methoxypyridine

5-chloro-3-(chloromethyl)-2-methoxypyridine (PubChem CID 22248598) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 5-chloro-3-(chloromethyl)-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-3-(chloromethyl)-2-methoxypyridine
PubChem CID22248598
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name5-chloro-3-(chloromethyl)-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1CCl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-5(3-8)2-6(9)4-10-7/h2,4H,3H2,1H3
InChIKeyFUIXVOHMCCYFNC-UHFFFAOYSA-N
XLogP2.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 52.48
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-chloro-3-(chloromethyl)-2-methoxypyridine?
The IUPAC name of 5-chloro-3-(chloromethyl)-2-methoxypyridine (CID 22248598) is 5-chloro-3-(chloromethyl)-2-methoxypyridine.
What is the SMILES notation for 5-chloro-3-(chloromethyl)-2-methoxypyridine?
The canonical SMILES for 5-chloro-3-(chloromethyl)-2-methoxypyridine is COc1ncc(Cl)cc1CCl.
What is the InChIKey of 5-chloro-3-(chloromethyl)-2-methoxypyridine?
The InChIKey is FUIXVOHMCCYFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-11-7-5(3-8)2-6(9)4-10-7/h2,4H,3H2,1H3.
What are the key properties of 5-chloro-3-(chloromethyl)-2-methoxypyridine?
5-chloro-3-(chloromethyl)-2-methoxypyridine has a molecular weight of 192.04 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(chloromethyl)-2-methoxypyridine is sourced from PubChem (CID 22248598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).