methyl 3-bromopropanimidate;hydrochloride

C4H9BrClNO — CID 141462308

IUPACmethyl 3-bromopropanimidate;hydrochloride
SMILESCl.[H]/N=C(/CCBr)OC
InChIInChI=1S/C4H8BrNO.ClH/c1-7-4(6)2-3-5;/h6H,2-3H2,1H3;1H/b6-4-;
InChIKeyBKIPZXYKBBWSCY-YHSAGPEESA-N
MW202.48 g/mol
LogP1.82
Rot. Bonds2

About methyl 3-bromopropanimidate;hydrochloride

methyl 3-bromopropanimidate;hydrochloride (PubChem CID 141462308) has the molecular formula C4H9BrClNO and a molecular weight of 202.48 g/mol. Its IUPAC name is methyl 3-bromopropanimidate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-bromopropanimidate;hydrochloride
PubChem CID141462308
Molecular FormulaC4H9BrClNO
Molecular Weight202.48 g/mol
Exact Mass200.96
IUPAC Namemethyl 3-bromopropanimidate;hydrochloride
SMILESCl.[H]/N=C(/CCBr)OC
InChIInChI=1S/C4H8BrNO.ClH/c1-7-4(6)2-3-5;/h6H,2-3H2,1H3;1H/b6-4-;
InChIKeyBKIPZXYKBBWSCY-YHSAGPEESA-N
XLogP1.82
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-imino-3-methoxypropoxy)propanimidate
CID 23435000
methyl 8-imino-8-methoxyoctanoate;hydrochloride
CID 87545938
methyl 4-methylhexanimidate
CID 57248628
ethyl 4-bromobutanimidate;hydrochloride
CID 75357912
methyl 3-(4-ethylphenyl)propanimidate
CID 95436765
dimethyl 2,2-dimethylhexanediimidate
CID 175029785
methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]-2,2-dimethylpropanimidate;dihydrochloride
CID 141201230
methyl 4-(2,4,5-trifluorophenyl)butanimidate
CID 129041026
methyl 3-(3,4-difluorophenoxy)propanimidate
CID 95441850
methyl 4-(2,4,5-trimethylphenyl)butanimidate
CID 95443466
methyl 3-(3,4-dimethoxyphenyl)propanimidate
CID 95445563
methyl 2-(2-bromophenyl)ethanimidate
CID 62830195

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromopropanimidate;hydrochloride?
The IUPAC name of methyl 3-bromopropanimidate;hydrochloride (CID 141462308) is methyl 3-bromopropanimidate;hydrochloride.
What is the SMILES notation for methyl 3-bromopropanimidate;hydrochloride?
The canonical SMILES for methyl 3-bromopropanimidate;hydrochloride is Cl.[H]/N=C(/CCBr)OC.
What is the InChIKey of methyl 3-bromopropanimidate;hydrochloride?
The InChIKey is BKIPZXYKBBWSCY-YHSAGPEESA-N. The full InChI is InChI=1S/C4H8BrNO.ClH/c1-7-4(6)2-3-5;/h6H,2-3H2,1H3;1H/b6-4-;.
What are the key properties of methyl 3-bromopropanimidate;hydrochloride?
methyl 3-bromopropanimidate;hydrochloride has a molecular weight of 202.48 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromopropanimidate;hydrochloride is sourced from PubChem (CID 141462308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).