N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

C12H10BrN3O2 — CID 135771066

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccc[nH]1
InChIInChI=1S/C12H10BrN3O2/c13-9-3-4-11(17)8(6-9)7-15-16-12(18)10-2-1-5-14-10/h1-7,14,17H,(H,16,18)/b15-7+
InChIKeyFOQWPDJNEBCIEF-VIZOYTHASA-N
MW308.14 g/mol
LogP2.25
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 135771066) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID135771066
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccc[nH]1
InChIInChI=1S/C12H10BrN3O2/c13-9-3-4-11(17)8(6-9)7-15-16-12(18)10-2-1-5-14-10/h1-7,14,17H,(H,16,18)/b15-7+
InChIKeyFOQWPDJNEBCIEF-VIZOYTHASA-N
XLogP2.25
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-nicotinic acid (5-bromo-2-hydroxy-benzylidene)-hydrazide
CID 135533022
5-bromo-2-hydroxy-N-[1-(2-pyridinyl)ethylideneamino]benzamide
CID 9566836
Benzoic acid, 2-hydroxy-, (1H-pyrrol-2-ylmethylene)hydrazide
CID 135409855
N'-(5-bromo-2-hydroxybenzylidene)isonicotinohydrazide
CID 135480441
N'-(5-BR-2-HO-Benzylidene)-3-(1-ME-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 135547154
5-bromo-2-hydroxy-N'-[(1E)-pyridin-3-ylmethylene]benzohydrazide
CID 5331626
4-hydroxy-N'-(1H-pyrrol-2-ylmethylene)benzohydrazide
CID 135403083
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135428734
N'-(5-Bromo-2-hydroxybenzylidene)-2-pyridinecarbohydrazide
CID 135588610
(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(1H-pyrrol-2-yl)methanone
CID 54585959
4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 73212661
N-{2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}isonicotinamide
CID 135517013

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 135771066) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccc[nH]1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is FOQWPDJNEBCIEF-VIZOYTHASA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-9-3-4-11(17)8(6-9)7-15-16-12(18)10-2-1-5-14-10/h1-7,14,17H,(H,16,18)/b15-7+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 308.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135771066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).