2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride

C10H15Cl2NO — CID 21296003

IUPAC2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride
SMILESCCCOc1ccnc(CCl)c1C.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-3-6-13-10-4-5-12-9(7-11)8(10)2;/h4-5H,3,6-7H2,1-2H3;1H
InChIKeyAFKNUPKBDVMDIQ-UHFFFAOYSA-N
MW236.14 g/mol
LogP3.34
Rot. Bonds4

About 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride

2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride (PubChem CID 21296003) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride
PubChem CID21296003
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride
SMILESCCCOc1ccnc(CCl)c1C.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-3-6-13-10-4-5-12-9(7-11)8(10)2;/h4-5H,3,6-7H2,1-2H3;1H
InChIKeyAFKNUPKBDVMDIQ-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 53.34
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 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride (CID 21296003) is 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride is CCCOc1ccnc(CCl)c1C.Cl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride?
The InChIKey is AFKNUPKBDVMDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-3-6-13-10-4-5-12-9(7-11)8(10)2;/h4-5H,3,6-7H2,1-2H3;1H.
What are the key properties of 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride?
2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride is sourced from PubChem (CID 21296003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).