2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine

C9H10BrN3O2 — CID 141392740

IUPAC2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
SMILESCN(C)C=Cc1cc(Br)cnc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrN3O2/c1-12(2)4-3-7-5-8(10)6-11-9(7)13(14)15/h3-6H,1-2H3
InChIKeyYDOVGKOUQIJSNN-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.28
Rot. Bonds3

About 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine

2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine (PubChem CID 141392740) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
PubChem CID141392740
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
SMILESCN(C)C=Cc1cc(Br)cnc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrN3O2/c1-12(2)4-3-7-5-8(10)6-11-9(7)13(14)15/h3-6H,1-2H3
InChIKeyYDOVGKOUQIJSNN-UHFFFAOYSA-N
XLogP2.28
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine 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

2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
CID 141392738
5-bromo-3-iodo-2-nitropyridine
CID 130647643
5-bromo-3-chloro-2-nitropyridine
CID 131027901
5-bromo-2-nitropyridine-3-carboxylic acid
CID 131030308
5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine
CID 19034973
N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
CID 123915141
methyl 4-[(E)-2-(dimethylamino)ethenyl]-5-nitropyridine-2-carboxylate
CID 86602115
(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine
CID 134325904
(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 10563333
(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
CID 87240394
(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 11310699
5-bromo-2-nitropyridine;methyl 2-(5-bromo-2-nitro-3-pyridinyl)acetate
CID 157403267

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine?
The IUPAC name of 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine (CID 141392740) is 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine.
What is the SMILES notation for 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine?
The canonical SMILES for 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine is CN(C)C=Cc1cc(Br)cnc1[N+](=O)[O-].
What is the InChIKey of 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine?
The InChIKey is YDOVGKOUQIJSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-12(2)4-3-7-5-8(10)6-11-9(7)13(14)15/h3-6H,1-2H3.
What are the key properties of 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine?
2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine has a molecular weight of 272.10 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine is sourced from PubChem (CID 141392740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).