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

C12H13BrN6O4 — CID 161111660

IUPAC5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine
SMILESCc1c(Br)cnc(N)c1[N+](=O)[O-].Cc1ccnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H6BrN3O2.C6H7N3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12;1-4-2-3-8-6(7)5(4)9(10)11/h2H,1H3,(H2,8,9);2-3H,1H3,(H2,7,8)
InChIKeyUJTQGXPBZVESQR-UHFFFAOYSA-N
MW385.18 g/mol
LogP2.52
Rot. Bonds2

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

5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine (PubChem CID 161111660) has the molecular formula C12H13BrN6O4 and a molecular weight of 385.18 g/mol. Its IUPAC name is 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine
PubChem CID161111660
Molecular FormulaC12H13BrN6O4
Molecular Weight385.18 g/mol
Exact Mass384.02
IUPAC Name5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine
SMILESCc1c(Br)cnc(N)c1[N+](=O)[O-].Cc1ccnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H6BrN3O2.C6H7N3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12;1-4-2-3-8-6(7)5(4)9(10)11/h2H,1H3,(H2,8,9);2-3H,1H3,(H2,7,8)
InChIKeyUJTQGXPBZVESQR-UHFFFAOYSA-N
XLogP2.52
TPSA164.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-bromo-4-methyl-3-nitropyridin-2-amine;ethane
CID 143994172
5-bromo-4-methyl-3-nitropyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)nitramide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)nitramide
CID 162014842
4-(4-methylphenyl)-3-nitropyridin-2-amine
CID 138986311
3-methyl-4-nitropyridin-2-amine
CID 19758038
4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 133086486
5-(4-bromobut-1-ynyl)-4-methyl-3-nitropyridin-2-amine
CID 170466786
4-[2-(4-amino-2,3-dimethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 118242644
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
3-bromo-6-methyl-2-nitroaniline
CID 84726344
5-bromo-3,4-dimethylpyridin-2-amine;ethane
CID 145431930
5-bromo-2-(3,3-dimethoxypropoxy)-4-methyl-3-nitropyridine
CID 176695412
CID 171789738
CID 171789738

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine (CID 161111660) is 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine is Cc1c(Br)cnc(N)c1[N+](=O)[O-].Cc1ccnc(N)c1[N+](=O)[O-].
What is the InChIKey of 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine?
The InChIKey is UJTQGXPBZVESQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2.C6H7N3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12;1-4-2-3-8-6(7)5(4)9(10)11/h2H,1H3,(H2,8,9);2-3H,1H3,(H2,7,8).
What are the key properties of 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine?
5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine has a molecular weight of 385.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 161111660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).