2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile

C11H6BrN5O2 — CID 163228811

IUPAC2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1nc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H6BrN5O2/c12-9-4-3-8(17(18)19)11(15-9)16-10-7(6-13)2-1-5-14-10/h1-5H,(H,14,15,16)
InChIKeyYUNXBZIMDXOJRW-UHFFFAOYSA-N
MW320.11 g/mol
LogP2.76
Rot. Bonds3

About 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile

2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile (PubChem CID 163228811) has the molecular formula C11H6BrN5O2 and a molecular weight of 320.11 g/mol. Its IUPAC name is 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile
PubChem CID163228811
Molecular FormulaC11H6BrN5O2
Molecular Weight320.11 g/mol
Exact Mass318.97
IUPAC Name2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1nc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H6BrN5O2/c12-9-4-3-8(17(18)19)11(15-9)16-10-7(6-13)2-1-5-14-10/h1-5H,(H,14,15,16)
InChIKeyYUNXBZIMDXOJRW-UHFFFAOYSA-N
XLogP2.76
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile 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-(2,6-dibromoanilino)pyridine-3-carbonitrile
CID 107600351
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
2-[(6-amino-3-nitro-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82713499
2-(2,5-dibromoanilino)pyridine-3-carbonitrile
CID 54955346
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
4-bromo-2-[(6-chloro-3-nitro-2-pyridinyl)amino]benzonitrile
CID 107800069
2-bromo-5-nitropyridine-4-carbonitrile
CID 119024945
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 43347821
4-[(6-bromo-3-nitro-2-pyridinyl)amino]butanoic acid
CID 146560512

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile (CID 163228811) is 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile is N#Cc1cccnc1Nc1nc(Br)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile?
The InChIKey is YUNXBZIMDXOJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN5O2/c12-9-4-3-8(17(18)19)11(15-9)16-10-7(6-13)2-1-5-14-10/h1-5H,(H,14,15,16).
What are the key properties of 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile?
2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile has a molecular weight of 320.11 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 163228811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).