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

C7H7Cl2NO — CID 11816355

IUPAC4-chloro-2-(chloromethyl)-3-methoxypyridine
SMILESCOc1c(Cl)ccnc1CCl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-5(9)2-3-10-6(7)4-8/h2-3H,4H2,1H3
InChIKeyKPQDKAMSAVONFC-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.48
Rot. Bonds2

About 4-chloro-2-(chloromethyl)-3-methoxypyridine

4-chloro-2-(chloromethyl)-3-methoxypyridine (PubChem CID 11816355) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-3-methoxypyridine.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-3-methoxypyridine
PubChem CID11816355
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name4-chloro-2-(chloromethyl)-3-methoxypyridine
SMILESCOc1c(Cl)ccnc1CCl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-5(9)2-3-10-6(7)4-8/h2-3H,4H2,1H3
InChIKeyKPQDKAMSAVONFC-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 4-chloro-2-(chloromethyl)-3-methoxypyridine?
The IUPAC name of 4-chloro-2-(chloromethyl)-3-methoxypyridine (CID 11816355) is 4-chloro-2-(chloromethyl)-3-methoxypyridine.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-3-methoxypyridine?
The canonical SMILES for 4-chloro-2-(chloromethyl)-3-methoxypyridine is COc1c(Cl)ccnc1CCl.
What is the InChIKey of 4-chloro-2-(chloromethyl)-3-methoxypyridine?
The InChIKey is KPQDKAMSAVONFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-11-7-5(9)2-3-10-6(7)4-8/h2-3H,4H2,1H3.
What are the key properties of 4-chloro-2-(chloromethyl)-3-methoxypyridine?
4-chloro-2-(chloromethyl)-3-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 4-chloro-2-(chloromethyl)-3-methoxypyridine is sourced from PubChem (CID 11816355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).