2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol

C13H9Br2N3O3 — CID 21204190

IUPAC2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
SMILESO=[N+]([O-])c1cccc(/C=N/Nc2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C13H9Br2N3O3/c14-11-5-9(6-12(15)13(11)19)17-16-7-8-2-1-3-10(4-8)18(20)21/h1-7,17,19H/b16-7+
InChIKeyUQHNQTVZWAFSKZ-FRKPEAEDSA-N
MW415.04 g/mol
LogP4.27
Rot. Bonds4

About 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol

2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol (PubChem CID 21204190) has the molecular formula C13H9Br2N3O3 and a molecular weight of 415.04 g/mol. Its IUPAC name is 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
PubChem CID21204190
Molecular FormulaC13H9Br2N3O3
Molecular Weight415.04 g/mol
Exact Mass412.90
IUPAC Name2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
SMILESO=[N+]([O-])c1cccc(/C=N/Nc2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C13H9Br2N3O3/c14-11-5-9(6-12(15)13(11)19)17-16-7-8-2-1-3-10(4-8)18(20)21/h1-7,17,19H/b16-7+
InChIKeyUQHNQTVZWAFSKZ-FRKPEAEDSA-N
XLogP4.27
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136913851
2,4-dibromo-6-[4-methyl-6-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]pyrimidin-2-yl]phenol
CID 136870503
5-nitro-N-[(3-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 171665795
2-bromo-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 139061463
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 9077620
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol (CID 21204190) is 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol is O=[N+]([O-])c1cccc(/C=N/Nc2cc(Br)c(O)c(Br)c2)c1.
What is the InChIKey of 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol?
The InChIKey is UQHNQTVZWAFSKZ-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9Br2N3O3/c14-11-5-9(6-12(15)13(11)19)17-16-7-8-2-1-3-10(4-8)18(20)21/h1-7,17,19H/b16-7+.
What are the key properties of 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol?
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol has a molecular weight of 415.04 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol is sourced from PubChem (CID 21204190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).