methyl 2-(2-bromophenyl)ethanimidate

C9H10BrNO — CID 62830195

IUPACmethyl 2-(2-bromophenyl)ethanimidate
SMILES[H]/N=C(/Cc1ccccc1Br)OC
InChIInChI=1S/C9H10BrNO/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,11H,6H2,1H3/b11-9-
InChIKeyMPWQVJHGQMWXAB-LUAWRHEFSA-N
MW228.09 g/mol
LogP2.62
Rot. Bonds2

About methyl 2-(2-bromophenyl)ethanimidate

methyl 2-(2-bromophenyl)ethanimidate (PubChem CID 62830195) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is methyl 2-(2-bromophenyl)ethanimidate.

Molecular Properties

Compound Namemethyl 2-(2-bromophenyl)ethanimidate
PubChem CID62830195
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Namemethyl 2-(2-bromophenyl)ethanimidate
SMILES[H]/N=C(/Cc1ccccc1Br)OC
InChIInChI=1S/C9H10BrNO/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,11H,6H2,1H3/b11-9-
InChIKeyMPWQVJHGQMWXAB-LUAWRHEFSA-N
XLogP2.62
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-imino-3-(2-methylphenyl)propanoate
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2-(2-bromophenyl)acetyl bromide
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[2-(2-bromophenyl)acetyl] propanoate
CID 90987383
(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
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1-bromo-2-(2,2-dimethoxyethyl)benzene
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CID 51057355

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromophenyl)ethanimidate?
The IUPAC name of methyl 2-(2-bromophenyl)ethanimidate (CID 62830195) is methyl 2-(2-bromophenyl)ethanimidate.
What is the SMILES notation for methyl 2-(2-bromophenyl)ethanimidate?
The canonical SMILES for methyl 2-(2-bromophenyl)ethanimidate is [H]/N=C(/Cc1ccccc1Br)OC.
What is the InChIKey of methyl 2-(2-bromophenyl)ethanimidate?
The InChIKey is MPWQVJHGQMWXAB-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,11H,6H2,1H3/b11-9-.
What are the key properties of methyl 2-(2-bromophenyl)ethanimidate?
methyl 2-(2-bromophenyl)ethanimidate has a molecular weight of 228.09 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromophenyl)ethanimidate is sourced from PubChem (CID 62830195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).