4-(3-chloropropoxy)-2,3-dimethylpyridine

C10H14ClNO — CID 173285585

IUPAC4-(3-chloropropoxy)-2,3-dimethylpyridine
SMILESCc1nccc(OCCCCl)c1C
InChIInChI=1S/C10H14ClNO/c1-8-9(2)12-6-4-10(8)13-7-3-5-11/h4,6H,3,5,7H2,1-2H3
InChIKeyODQRGUUSAMNJJG-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.71
Rot. Bonds4

About 4-(3-chloropropoxy)-2,3-dimethylpyridine

4-(3-chloropropoxy)-2,3-dimethylpyridine (PubChem CID 173285585) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-(3-chloropropoxy)-2,3-dimethylpyridine.

Molecular Properties

Compound Name4-(3-chloropropoxy)-2,3-dimethylpyridine
PubChem CID173285585
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name4-(3-chloropropoxy)-2,3-dimethylpyridine
SMILESCc1nccc(OCCCCl)c1C
InChIInChI=1S/C10H14ClNO/c1-8-9(2)12-6-4-10(8)13-7-3-5-11/h4,6H,3,5,7H2,1-2H3
InChIKeyODQRGUUSAMNJJG-UHFFFAOYSA-N
XLogP2.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.71
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 4-(3-chloropropoxy)-2,3-dimethylpyridine?
The IUPAC name of 4-(3-chloropropoxy)-2,3-dimethylpyridine (CID 173285585) is 4-(3-chloropropoxy)-2,3-dimethylpyridine.
What is the SMILES notation for 4-(3-chloropropoxy)-2,3-dimethylpyridine?
The canonical SMILES for 4-(3-chloropropoxy)-2,3-dimethylpyridine is Cc1nccc(OCCCCl)c1C.
What is the InChIKey of 4-(3-chloropropoxy)-2,3-dimethylpyridine?
The InChIKey is ODQRGUUSAMNJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-8-9(2)12-6-4-10(8)13-7-3-5-11/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 4-(3-chloropropoxy)-2,3-dimethylpyridine?
4-(3-chloropropoxy)-2,3-dimethylpyridine has a molecular weight of 199.68 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropoxy)-2,3-dimethylpyridine is sourced from PubChem (CID 173285585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).