N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine

C12H9BrN4O2 — CID 84888865

IUPACN-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cc(C=NNc2ccccn2)ccc1Br
InChIInChI=1S/C12H9BrN4O2/c13-10-5-4-9(7-11(10)17(18)19)8-15-16-12-3-1-2-6-14-12/h1-8H,(H,14,16)
InChIKeyALLVZVHLMDMGPX-UHFFFAOYSA-N
MW321.13 g/mol
LogP3.20
Rot. Bonds4

About N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine

N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine (PubChem CID 84888865) has the molecular formula C12H9BrN4O2 and a molecular weight of 321.13 g/mol. Its IUPAC name is N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
PubChem CID84888865
Molecular FormulaC12H9BrN4O2
Molecular Weight321.13 g/mol
Exact Mass319.99
IUPAC NameN-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cc(C=NNc2ccccn2)ccc1Br
InChIInChI=1S/C12H9BrN4O2/c13-10-5-4-9(7-11(10)17(18)19)8-15-16-12-3-1-2-6-14-12/h1-8H,(H,14,16)
InChIKeyALLVZVHLMDMGPX-UHFFFAOYSA-N
XLogP3.20
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135458967
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126209455
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine
CID 110842592
N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine
CID 110505616
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317033
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
N-[(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 1364490
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 5342520
4-bromo-3-nitrobenzaldehyde
CID 808792
4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
CID 4529137

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine (CID 84888865) is N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine is O=[N+]([O-])c1cc(C=NNc2ccccn2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine?
The InChIKey is ALLVZVHLMDMGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2/c13-10-5-4-9(7-11(10)17(18)19)8-15-16-12-3-1-2-6-14-12/h1-8H,(H,14,16).
What are the key properties of N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine?
N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine has a molecular weight of 321.13 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 84888865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).