4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid

C19H13Br2N3O4 — CID 126256937

IUPAC4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C19H13Br2N3O4/c20-12-8-15(17(25)16(21)9-12)18(26)23-22-10-14-2-1-7-24(14)13-5-3-11(4-6-13)19(27)28/h1-10,25H,(H,23,26)(H,27,28)/b22-10-
InChIKeySBFJNPXQUUEBJQ-YVNNLAQVSA-N
MW507.14 g/mol
LogP4.17
Rot. Bonds5

About 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid

4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid (PubChem CID 126256937) has the molecular formula C19H13Br2N3O4 and a molecular weight of 507.14 g/mol. Its IUPAC name is 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
PubChem CID126256937
Molecular FormulaC19H13Br2N3O4
Molecular Weight507.14 g/mol
Exact Mass504.93
IUPAC Name4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C19H13Br2N3O4/c20-12-8-15(17(25)16(21)9-12)18(26)23-22-10-14-2-1-7-24(14)13-5-3-11(4-6-13)19(27)28/h1-10,25H,(H,23,26)(H,27,28)/b22-10-
InChIKeySBFJNPXQUUEBJQ-YVNNLAQVSA-N
XLogP4.17
TPSA103.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.14
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126239658
2-bromo-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 6004714
4-[2-[(4-bromophenyl)iminomethyl]pyrrol-1-yl]benzoic acid
CID 126258705
5,7-dibromo-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376279
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660
4-fluoro-N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 126029104
4-fluoro-N-[(1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 3722683
3-[2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126092012
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 5127516
3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
CID 3973684
3-methoxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 4685961
3-bromo-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 5452566

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid?
The IUPAC name of 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid (CID 126256937) is 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid.
What is the SMILES notation for 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid?
The canonical SMILES for 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid is O=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid?
The InChIKey is SBFJNPXQUUEBJQ-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H13Br2N3O4/c20-12-8-15(17(25)16(21)9-12)18(26)23-22-10-14-2-1-7-24(14)13-5-3-11(4-6-13)19(27)28/h1-10,25H,(H,23,26)(H,27,28)/b22-10-.
What are the key properties of 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid?
4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid has a molecular weight of 507.14 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid is sourced from PubChem (CID 126256937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).