5-bromo-4-methyl-3-nitropyridin-2-amine

C6H6BrN3O2 — CID 7213207

IUPAC5-bromo-4-methyl-3-nitropyridin-2-amine
SMILESCc1c(Br)cnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H6BrN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)
InChIKeyKFVGEPWMVKZPND-UHFFFAOYSA-N
MW232.04 g/mol
LogP1.64
Rot. Bonds1

About 5-bromo-4-methyl-3-nitropyridin-2-amine

5-bromo-4-methyl-3-nitropyridin-2-amine (PubChem CID 7213207) has the molecular formula C6H6BrN3O2 and a molecular weight of 232.04 g/mol. Its IUPAC name is 5-bromo-4-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-3-nitropyridin-2-amine
PubChem CID7213207
Molecular FormulaC6H6BrN3O2
Molecular Weight232.04 g/mol
Exact Mass230.96
IUPAC Name5-bromo-4-methyl-3-nitropyridin-2-amine
SMILESCc1c(Br)cnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H6BrN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)
InChIKeyKFVGEPWMVKZPND-UHFFFAOYSA-N
XLogP1.64
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 51.64
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

5-Methyl-3-nitropyridin-2-amine
CID 345644
2-Amino-4-methyl-3-nitropyridine
CID 243166
2-Amino-4-methyl-5-nitropyridine
CID 243165
5-bromo-2-nitro-N-phenylpyridin-3-amine
CID 2842429
2-Amino-5-bromo-3-nitropyridine
CID 138878
2-Amino-3-methyl-5-nitropyridine
CID 2734446
2-Amino-3-bromo-5-nitropyridine
CID 2734412
3-Bromo-5-nitropyridin-2-amine;hydrobromide
CID 16187684
3,5-Dibromo-4-methylpyridin-2-amine
CID 817683
3-Bromo-4-Methyl-5-Nitropyridine
CID 12510054
4-Bromo-5-nitropyridin-2-amine
CID 13040393
4-Bromo-2-nitropyridin-3-amine
CID 91647449

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-3-nitropyridin-2-amine (CID 7213207) is 5-bromo-4-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-3-nitropyridin-2-amine is Cc1c(Br)cnc(N)c1[N+](=O)[O-].
What is the InChIKey of 5-bromo-4-methyl-3-nitropyridin-2-amine?
The InChIKey is KFVGEPWMVKZPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9).
What are the key properties of 5-bromo-4-methyl-3-nitropyridin-2-amine?
5-bromo-4-methyl-3-nitropyridin-2-amine has a molecular weight of 232.04 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 7213207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).