4-bromo-5-nitropyridin-3-amine

C5H4BrN3O2 — CID 130705399

IUPAC4-bromo-5-nitropyridin-3-amine
SMILESNc1cncc([N+](=O)[O-])c1Br
InChIInChI=1S/C5H4BrN3O2/c6-5-3(7)1-8-2-4(5)9(10)11/h1-2H,7H2
InChIKeyYRLPNAGJRAXCTE-UHFFFAOYSA-N
MW218.01 g/mol
LogP1.33
Rot. Bonds1

About 4-bromo-5-nitropyridin-3-amine

4-bromo-5-nitropyridin-3-amine (PubChem CID 130705399) has the molecular formula C5H4BrN3O2 and a molecular weight of 218.01 g/mol. Its IUPAC name is 4-bromo-5-nitropyridin-3-amine.

Molecular Properties

Compound Name4-bromo-5-nitropyridin-3-amine
PubChem CID130705399
Molecular FormulaC5H4BrN3O2
Molecular Weight218.01 g/mol
Exact Mass216.95
IUPAC Name4-bromo-5-nitropyridin-3-amine
SMILESNc1cncc([N+](=O)[O-])c1Br
InChIInChI=1S/C5H4BrN3O2/c6-5-3(7)1-8-2-4(5)9(10)11/h1-2H,7H2
InChIKeyYRLPNAGJRAXCTE-UHFFFAOYSA-N
XLogP1.33
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 51.33
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'}

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Related Compounds

4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130094685
(4-bromo-5-nitro-3-pyridinyl)methanol
CID 131191096
3-bromo-5-nitropyridine-4-carbaldehyde
CID 130966460
2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline
CID 103519719
3-(2-bromoethyl)-5-nitropyridin-4-amine
CID 91057411
3-nitro-5-(trifluoromethyl)pyridin-4-amine
CID 118811335
4-N-(3-bromo-5-nitro-4-pyridinyl)benzene-1,4-diamine
CID 103519110
ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine
CID 142972400
1-(3-amino-4-bromo-5-nitrophenyl)ethanone
CID 171017532
5-amino-4-nitropyridine-3-carbonitrile
CID 19034852
2-(3-bromo-5-nitro-4-pyridinyl)propanedioic acid
CID 68655260
3-nitro-5-propan-2-yloxypyridin-4-amine
CID 130057896

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-nitropyridin-3-amine?
The IUPAC name of 4-bromo-5-nitropyridin-3-amine (CID 130705399) is 4-bromo-5-nitropyridin-3-amine.
What is the SMILES notation for 4-bromo-5-nitropyridin-3-amine?
The canonical SMILES for 4-bromo-5-nitropyridin-3-amine is Nc1cncc([N+](=O)[O-])c1Br.
What is the InChIKey of 4-bromo-5-nitropyridin-3-amine?
The InChIKey is YRLPNAGJRAXCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O2/c6-5-3(7)1-8-2-4(5)9(10)11/h1-2H,7H2.
What are the key properties of 4-bromo-5-nitropyridin-3-amine?
4-bromo-5-nitropyridin-3-amine has a molecular weight of 218.01 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-nitropyridin-3-amine is sourced from PubChem (CID 130705399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).