ethyl 2-(4-bromophenyl)iminoacetate

C10H10BrNO2 — CID 25067314

IUPACethyl 2-(4-bromophenyl)iminoacetate
SMILESCCOC(=O)/C=N/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-7H,2H2,1H3/b12-7+
InChIKeyXLVKRRMSLOIGJU-KPKJPENVSA-N
MW256.10 g/mol
LogP2.71
Rot. Bonds3

About ethyl 2-(4-bromophenyl)iminoacetate

ethyl 2-(4-bromophenyl)iminoacetate (PubChem CID 25067314) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)iminoacetate
PubChem CID25067314
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Nameethyl 2-(4-bromophenyl)iminoacetate
SMILESCCOC(=O)/C=N/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-7H,2H2,1H3/b12-7+
InChIKeyXLVKRRMSLOIGJU-KPKJPENVSA-N
XLogP2.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)iminoacetate?
The IUPAC name of ethyl 2-(4-bromophenyl)iminoacetate (CID 25067314) is ethyl 2-(4-bromophenyl)iminoacetate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)iminoacetate?
The canonical SMILES for ethyl 2-(4-bromophenyl)iminoacetate is CCOC(=O)/C=N/c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-(4-bromophenyl)iminoacetate?
The InChIKey is XLVKRRMSLOIGJU-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-7H,2H2,1H3/b12-7+.
What are the key properties of ethyl 2-(4-bromophenyl)iminoacetate?
ethyl 2-(4-bromophenyl)iminoacetate has a molecular weight of 256.10 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)iminoacetate is sourced from PubChem (CID 25067314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).