3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline

C12H10BrClN4O2 — CID 80928854

IUPAC3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline
SMILESNNc1cc(Nc2ccc(Cl)c(Br)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10BrClN4O2/c13-11-6-7(1-2-12(11)14)16-8-3-9(17-15)5-10(4-8)18(19)20/h1-6,16-17H,15H2
InChIKeyFBKOUCUPNTXLRX-UHFFFAOYSA-N
MW357.60 g/mol
LogP4.04
Rot. Bonds4

About 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline

3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline (PubChem CID 80928854) has the molecular formula C12H10BrClN4O2 and a molecular weight of 357.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline
PubChem CID80928854
Molecular FormulaC12H10BrClN4O2
Molecular Weight357.60 g/mol
Exact Mass355.97
IUPAC Name3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline
SMILESNNc1cc(Nc2ccc(Cl)c(Br)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10BrClN4O2/c13-11-6-7(1-2-12(11)14)16-8-3-9(17-15)5-10(4-8)18(19)20/h1-6,16-17H,15H2
InChIKeyFBKOUCUPNTXLRX-UHFFFAOYSA-N
XLogP4.04
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.60
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-bromo-N-(3-hydrazinyl-5-nitrophenyl)-4-methylaniline
CID 80914442
3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928323
3-N-(3,4-dichlorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80768908
3-N-(4-chloro-3-fluorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80804203
4-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-methylaniline
CID 80919959
5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline
CID 114261782
2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 83075238
2-N-(3-bromo-4-chlorophenyl)-3-nitropyridine-2,6-diamine
CID 80855442
5-bromo-2-(3-hydrazinyl-5-nitroanilino)benzonitrile
CID 82698059
5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline
CID 80911480
N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80932130
3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The IUPAC name of 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline (CID 80928854) is 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The canonical SMILES for 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline is NNc1cc(Nc2ccc(Cl)c(Br)c2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The InChIKey is FBKOUCUPNTXLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O2/c13-11-6-7(1-2-12(11)14)16-8-3-9(17-15)5-10(4-8)18(19)20/h1-6,16-17H,15H2.
What are the key properties of 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline has a molecular weight of 357.60 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline is sourced from PubChem (CID 80928854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).