2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride

C8H11Cl2NO — CID 22151431

IUPAC2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride
SMILESCOc1cc(CCl)ncc1C.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-6-5-10-7(4-9)3-8(6)11-2;/h3,5H,4H2,1-2H3;1H
InChIKeyFDNDPEVBJHZSAQ-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.56
Rot. Bonds2

About 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride

2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride (PubChem CID 22151431) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride
PubChem CID22151431
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride
SMILESCOc1cc(CCl)ncc1C.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-6-5-10-7(4-9)3-8(6)11-2;/h3,5H,4H2,1-2H3;1H
InChIKeyFDNDPEVBJHZSAQ-UHFFFAOYSA-N
XLogP2.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.56
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)-4-methoxy-5-methylpyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride (CID 22151431) is 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride is COc1cc(CCl)ncc1C.Cl.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride?
The InChIKey is FDNDPEVBJHZSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-6-5-10-7(4-9)3-8(6)11-2;/h3,5H,4H2,1-2H3;1H.
What are the key properties of 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride?
2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-5-methylpyridine;hydrochloride is sourced from PubChem (CID 22151431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).