2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine

C10H13Cl2NO — CID 22460786

IUPAC2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine
SMILESCc1c(OCCCCl)ccnc1CCl
InChIInChI=1S/C10H13Cl2NO/c1-8-9(7-12)13-5-3-10(8)14-6-2-4-11/h3,5H,2,4,6-7H2,1H3
InChIKeyXAZPURCRJDKOKU-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.14
Rot. Bonds5

About 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine

2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine (PubChem CID 22460786) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine
PubChem CID22460786
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine
SMILESCc1c(OCCCCl)ccnc1CCl
InChIInChI=1S/C10H13Cl2NO/c1-8-9(7-12)13-5-3-10(8)14-6-2-4-11/h3,5H,2,4,6-7H2,1H3
InChIKeyXAZPURCRJDKOKU-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine?
The IUPAC name of 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine (CID 22460786) is 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine is Cc1c(OCCCCl)ccnc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine?
The InChIKey is XAZPURCRJDKOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-8-9(7-12)13-5-3-10(8)14-6-2-4-11/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine?
2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine has a molecular weight of 234.13 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine is sourced from PubChem (CID 22460786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).