2-[(4-bromobenzoyl)hydrazinylidene]acetic acid

C9H7BrN2O3 — CID 71833055

IUPAC2-[(4-bromobenzoyl)hydrazinylidene]acetic acid
SMILESO=C(O)C=NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O3/c10-7-3-1-6(2-4-7)9(15)12-11-5-8(13)14/h1-5H,(H,12,15)(H,13,14)
InChIKeyGAFSUKMNDZTAQR-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.25
Rot. Bonds3

About 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid

2-[(4-bromobenzoyl)hydrazinylidene]acetic acid (PubChem CID 71833055) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid.

Molecular Properties

Compound Name2-[(4-bromobenzoyl)hydrazinylidene]acetic acid
PubChem CID71833055
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name2-[(4-bromobenzoyl)hydrazinylidene]acetic acid
SMILESO=C(O)C=NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O3/c10-7-3-1-6(2-4-7)9(15)12-11-5-8(13)14/h1-5H,(H,12,15)(H,13,14)
InChIKeyGAFSUKMNDZTAQR-UHFFFAOYSA-N
XLogP1.25
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide
CID 93116099
2-[(4-bromophenyl)hydrazinylidene]acetic acid
CID 67660176
ethyl (E)-2-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]-3-hydroxybut-2-enoate
CID 135440907
4-bromo-N-[(Z)-butylideneamino]benzamide
CID 6262530
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123764142
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide;hydroiodide
CID 126957688
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid?
The IUPAC name of 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid (CID 71833055) is 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid.
What is the SMILES notation for 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid?
The canonical SMILES for 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid is O=C(O)C=NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid?
The InChIKey is GAFSUKMNDZTAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-7-3-1-6(2-4-7)9(15)12-11-5-8(13)14/h1-5H,(H,12,15)(H,13,14).
What are the key properties of 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid?
2-[(4-bromobenzoyl)hydrazinylidene]acetic acid has a molecular weight of 271.07 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromobenzoyl)hydrazinylidene]acetic acid is sourced from PubChem (CID 71833055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).