ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate

C10H11BrN2O2 — CID 142835798

IUPACethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
SMILES[H]/N=C(\C(=O)OCC)c1cc(Br)ccc1N
InChIInChI=1S/C10H11BrN2O2/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5,13H,2,12H2,1H3/b13-9-
InChIKeyNMSJRLQOGNDSIM-LCYFTJDESA-N
MW271.11 g/mol
LogP1.96
Rot. Bonds3

About ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate

ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate (PubChem CID 142835798) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
PubChem CID142835798
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Nameethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
SMILES[H]/N=C(\C(=O)OCC)c1cc(Br)ccc1N
InChIInChI=1S/C10H11BrN2O2/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5,13H,2,12H2,1H3/b13-9-
InChIKeyNMSJRLQOGNDSIM-LCYFTJDESA-N
XLogP1.96
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate
CID 169171167
methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
CID 170602546
ethyl 2-imino-2-(4-iodophenyl)acetate
CID 146651641
ethyl 2-(2-amino-5-bromophenyl)acetate
CID 170997063
2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane
CID 143489753
ethyl 2-(4-bromo-2-fluorophenyl)-2-oxoacetate
CID 24722240
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
ethyl 2-(4-bromo-2-chlorophenyl)-3-(dimethylamino)prop-2-enoate
CID 67387329
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate
CID 143359554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate?
The IUPAC name of ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate (CID 142835798) is ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate.
What is the SMILES notation for ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate?
The canonical SMILES for ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate is [H]/N=C(\C(=O)OCC)c1cc(Br)ccc1N.
What is the InChIKey of ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate?
The InChIKey is NMSJRLQOGNDSIM-LCYFTJDESA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5,13H,2,12H2,1H3/b13-9-.
What are the key properties of ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate?
ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate has a molecular weight of 271.11 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate is sourced from PubChem (CID 142835798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).