1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine

C8H8BrN3O2 — CID 130160924

IUPAC1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine
SMILESNC1(c2ncc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C8H8BrN3O2/c9-5-3-6(12(13)14)7(11-4-5)8(10)1-2-8/h3-4H,1-2,10H2
InChIKeyWIZZUFCCOBOFCP-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.70
Rot. Bonds2

About 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine

1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine (PubChem CID 130160924) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine
PubChem CID130160924
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine
SMILESNC1(c2ncc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C8H8BrN3O2/c9-5-3-6(12(13)14)7(11-4-5)8(10)1-2-8/h3-4H,1-2,10H2
InChIKeyWIZZUFCCOBOFCP-UHFFFAOYSA-N
XLogP1.70
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine 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

5-(5-bromo-3-nitro-2-pyridinyl)-5-azaspiro[2.4]heptane
CID 167947252
1-(5-bromo-3-chloro-2-pyridinyl)cyclopentan-1-amine
CID 130545363
5-bromo-3-nitropyridine-2-carbonitrile
CID 2769698
5-bromo-N-(4-bromophenyl)-3-nitropyridin-2-amine
CID 63462190
5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine
CID 63205269
1-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312185
1-(5-bromo-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115305468
5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine
CID 59631376
5-bromo-N-(3-methyloxetan-3-yl)-3-nitropyridin-2-amine
CID 170993871
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61229223
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine (CID 130160924) is 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine is NC1(c2ncc(Br)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine?
The InChIKey is WIZZUFCCOBOFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c9-5-3-6(12(13)14)7(11-4-5)8(10)1-2-8/h3-4H,1-2,10H2.
What are the key properties of 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine?
1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine has a molecular weight of 258.07 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine is sourced from PubChem (CID 130160924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).