2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride

C11H17Cl2NO2 — CID 18792742

IUPAC2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride
SMILESCOCCCOc1ccnc(CCl)c1C.Cl
InChIInChI=1S/C11H16ClNO2.ClH/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2;/h4-5H,3,6-8H2,1-2H3;1H
InChIKeyMNVYUQSFAJMSCS-UHFFFAOYSA-N
MW266.17 g/mol
LogP2.97
Rot. Bonds6

About 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride

2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride (PubChem CID 18792742) has the molecular formula C11H17Cl2NO2 and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride
PubChem CID18792742
Molecular FormulaC11H17Cl2NO2
Molecular Weight266.17 g/mol
Exact Mass265.06
IUPAC Name2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride
SMILESCOCCCOc1ccnc(CCl)c1C.Cl
InChIInChI=1S/C11H16ClNO2.ClH/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2;/h4-5H,3,6-8H2,1-2H3;1H
InChIKeyMNVYUQSFAJMSCS-UHFFFAOYSA-N
XLogP2.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxypropoxy)-3-methylpyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride (CID 18792742) is 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride is COCCCOc1ccnc(CCl)c1C.Cl.
What is the InChIKey of 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride?
The InChIKey is MNVYUQSFAJMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2.ClH/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2;/h4-5H,3,6-8H2,1-2H3;1H.
What are the key properties of 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride?
2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride has a molecular weight of 266.17 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride is sourced from PubChem (CID 18792742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).