4-(chloromethyl)-2-methoxypyridine;hydrochloride

C7H9Cl2NO — CID 22625003

IUPAC4-(chloromethyl)-2-methoxypyridine;hydrochloride
SMILESCOc1cc(CCl)ccn1.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-4-6(5-8)2-3-9-7;/h2-4H,5H2,1H3;1H
InChIKeyLCDWIGUXCXCNBP-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.25
Rot. Bonds2

About 4-(chloromethyl)-2-methoxypyridine;hydrochloride

4-(chloromethyl)-2-methoxypyridine;hydrochloride (PubChem CID 22625003) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methoxypyridine;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2-methoxypyridine;hydrochloride
PubChem CID22625003
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name4-(chloromethyl)-2-methoxypyridine;hydrochloride
SMILESCOc1cc(CCl)ccn1.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-4-6(5-8)2-3-9-7;/h2-4H,5H2,1H3;1H
InChIKeyLCDWIGUXCXCNBP-UHFFFAOYSA-N
XLogP2.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4-pyridinyl)methylazanium
CID 25323729
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
ethane;2-methoxy-4-(methoxymethyl)pyridine
CID 156724194
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268408
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112588535
3-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 61269544
2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268983
4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine
CID 141379840
4-(chloromethyl)-2-methylpyridine
CID 12675262
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methoxypyridine;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2-methoxypyridine;hydrochloride (CID 22625003) is 4-(chloromethyl)-2-methoxypyridine;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2-methoxypyridine;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2-methoxypyridine;hydrochloride is COc1cc(CCl)ccn1.Cl.
What is the InChIKey of 4-(chloromethyl)-2-methoxypyridine;hydrochloride?
The InChIKey is LCDWIGUXCXCNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c1-10-7-4-6(5-8)2-3-9-7;/h2-4H,5H2,1H3;1H.
What are the key properties of 4-(chloromethyl)-2-methoxypyridine;hydrochloride?
4-(chloromethyl)-2-methoxypyridine;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methoxypyridine;hydrochloride is sourced from PubChem (CID 22625003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).