2-bromo-2-iminoacetic acid

C2H2BrNO2 — CID 151498749

IUPAC2-bromo-2-iminoacetic acid
SMILES[H]/N=C(\Br)C(=O)O
InChIInChI=1S/C2H2BrNO2/c3-1(4)2(5)6/h4H,(H,5,6)/b4-1-
InChIKeyPPYRRWCJSYGJDV-RJRFIUFISA-N
MW151.95 g/mol
LogP0.44
Rot. Bonds1

About 2-bromo-2-iminoacetic acid

2-bromo-2-iminoacetic acid (PubChem CID 151498749) has the molecular formula C2H2BrNO2 and a molecular weight of 151.95 g/mol. Its IUPAC name is 2-bromo-2-iminoacetic acid.

Molecular Properties

Compound Name2-bromo-2-iminoacetic acid
PubChem CID151498749
Molecular FormulaC2H2BrNO2
Molecular Weight151.95 g/mol
Exact Mass150.93
IUPAC Name2-bromo-2-iminoacetic acid
SMILES[H]/N=C(\Br)C(=O)O
InChIInChI=1S/C2H2BrNO2/c3-1(4)2(5)6/h4H,(H,5,6)/b4-1-
InChIKeyPPYRRWCJSYGJDV-RJRFIUFISA-N
XLogP0.44
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.95
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,3-dihydroxybut-2-enedioic acid;methanimidamide
CID 159624533
2-imino-4-methylpent-3-enoic acid
CID 143316665
2-bromo-3-iodoprop-2-enoic acid
CID 54348536
(E)-2-bromobut-2-enoic acid
CID 5383581
3-amino-2,4-diiminobutanoic acid
CID 22352981
oxalic acid;tantalum;hydrate
CID 174144106
(E)-2-[amino(methyl)amino]-3-hydroxybut-2-enimidoyl bromide
CID 170600404
(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121
2-iminoacetic acid;methane
CID 174572824
2-bromobuta-2,3-dienoic acid
CID 177425183
2-iminoacetic acid;hydrobromide
CID 175483406
ethanimine;2-methylprop-2-enoic acid
CID 175333202

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-iminoacetic acid?
The IUPAC name of 2-bromo-2-iminoacetic acid (CID 151498749) is 2-bromo-2-iminoacetic acid.
What is the SMILES notation for 2-bromo-2-iminoacetic acid?
The canonical SMILES for 2-bromo-2-iminoacetic acid is [H]/N=C(\Br)C(=O)O.
What is the InChIKey of 2-bromo-2-iminoacetic acid?
The InChIKey is PPYRRWCJSYGJDV-RJRFIUFISA-N. The full InChI is InChI=1S/C2H2BrNO2/c3-1(4)2(5)6/h4H,(H,5,6)/b4-1-.
What are the key properties of 2-bromo-2-iminoacetic acid?
2-bromo-2-iminoacetic acid has a molecular weight of 151.95 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-iminoacetic acid is sourced from PubChem (CID 151498749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).