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

C7H7Cl2NO — CID 61258051

IUPAC3-chloro-5-(chloromethyl)-2-methoxypyridine
SMILESCOc1ncc(CCl)cc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-6(9)2-5(3-8)4-10-7/h2,4H,3H2,1H3
InChIKeyUNCQLBTVVVCJFQ-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.48
Rot. Bonds2

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

3-chloro-5-(chloromethyl)-2-methoxypyridine (PubChem CID 61258051) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-methoxypyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-methoxypyridine
PubChem CID61258051
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name3-chloro-5-(chloromethyl)-2-methoxypyridine
SMILESCOc1ncc(CCl)cc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-6(9)2-5(3-8)4-10-7/h2,4H,3H2,1H3
InChIKeyUNCQLBTVVVCJFQ-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 3-chloro-5-(chloromethyl)-2-methoxypyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-methoxypyridine (CID 61258051) is 3-chloro-5-(chloromethyl)-2-methoxypyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-methoxypyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-methoxypyridine is COc1ncc(CCl)cc1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-methoxypyridine?
The InChIKey is UNCQLBTVVVCJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-11-7-6(9)2-5(3-8)4-10-7/h2,4H,3H2,1H3.
What are the key properties of 3-chloro-5-(chloromethyl)-2-methoxypyridine?
3-chloro-5-(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 3-chloro-5-(chloromethyl)-2-methoxypyridine is sourced from PubChem (CID 61258051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).