2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride

C11H15Cl2NO — CID 19996489

IUPAC2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride
SMILESC=CCOc1c(C)cnc(CCl)c1C.Cl
InChIInChI=1S/C11H14ClNO.ClH/c1-4-5-14-11-8(2)7-13-10(6-12)9(11)3;/h4,7H,1,5-6H2,2-3H3;1H
InChIKeyMFJHAGZBLRNECC-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.42
Rot. Bonds4

About 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride

2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride (PubChem CID 19996489) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride
PubChem CID19996489
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride
SMILESC=CCOc1c(C)cnc(CCl)c1C.Cl
InChIInChI=1S/C11H14ClNO.ClH/c1-4-5-14-11-8(2)7-13-10(6-12)9(11)3;/h4,7H,1,5-6H2,2-3H3;1H
InChIKeyMFJHAGZBLRNECC-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
CID 116660006
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
2-(chloromethyl)-3,5-dimethyl-4-nitropyridine;hydrate;hydrochloride
CID 141317816
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
2-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-4-methoxy-3,5-dimethylpyridine
CID 79163845
2-chloro-4-methyl-3-prop-2-enoxypyridine
CID 126996190
2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine
CID 102642172
5-methyl-2,4-bis(prop-2-enoxy)pyrimidine
CID 121218190
2-[[4-(chloromethyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 62729474
N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine
CID 102641299
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 43324923

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride (CID 19996489) is 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride is C=CCOc1c(C)cnc(CCl)c1C.Cl.
What is the InChIKey of 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride?
The InChIKey is MFJHAGZBLRNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c1-4-5-14-11-8(2)7-13-10(6-12)9(11)3;/h4,7H,1,5-6H2,2-3H3;1H.
What are the key properties of 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride?
2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3,5-dimethyl-4-prop-2-enoxypyridine;hydrochloride is sourced from PubChem (CID 19996489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).