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

C24H27Br2N11O6 — CID 162014842

IUPAC5-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
SMILESCc1c(Br)cnc(N)c1[N+](=O)[O-].Cc1cc(N[N+](=O)[O-])ncc1Br.Cc1ccnc(N)c1.Cc1ccnc(N[N+](=O)[O-])c1
InChIInChI=1S/2C6H6BrN3O2.C6H7N3O2.C6H8N2/c1-4-2-6(9-10(11)12)8-3-5(4)7;1-3-4(7)2-9-6(8)5(3)10(11)12;1-5-2-3-7-6(4-5)8-9(10)11;1-5-2-3-8-6(7)4-5/h2-3H,1H3,(H,8,9);2H,1H3,(H2,8,9);2-4H,1H3,(H,7,8);2-4H,1H3,(H2,7,8)
InChIKeyYTYSZGUPVGQMNC-UHFFFAOYSA-N
MW725.36 g/mol
LogP5.36
Rot. Bonds5

About 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

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 (PubChem CID 162014842) has the molecular formula C24H27Br2N11O6 and a molecular weight of 725.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID162014842
Molecular FormulaC24H27Br2N11O6
Molecular Weight725.36 g/mol
Exact Mass723.05
IUPAC Name5-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
SMILESCc1c(Br)cnc(N)c1[N+](=O)[O-].Cc1cc(N[N+](=O)[O-])ncc1Br.Cc1ccnc(N)c1.Cc1ccnc(N[N+](=O)[O-])c1
InChIInChI=1S/2C6H6BrN3O2.C6H7N3O2.C6H8N2/c1-4-2-6(9-10(11)12)8-3-5(4)7;1-3-4(7)2-9-6(8)5(3)10(11)12;1-5-2-3-7-6(4-5)8-9(10)11;1-5-2-3-8-6(7)4-5/h2-3H,1H3,(H,8,9);2H,1H3,(H2,8,9);2-4H,1H3,(H,7,8);2-4H,1H3,(H2,7,8)
InChIKeyYTYSZGUPVGQMNC-UHFFFAOYSA-N
XLogP5.36
TPSA257.08 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500725.36
LogP ≤ 55.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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;4-methyl-3-nitropyridin-2-amine
CID 161111660
5-bromo-4-methyl-3-nitropyridin-2-amine;ethane
CID 143994172
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 162076548
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
6-N-(2,4-dimethylphenyl)-4-N-(4-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23483745
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
6-N-(4-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23483688
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
CID 79733435
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 79736442
N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide
CID 115681603
4-(6-amino-4-methyl-5-nitro-3-pyridinyl)but-3-enal
CID 170482542

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(Br)cnc(N)c1[N+](=O)[O-].Cc1cc(N[N+](=O)[O-])ncc1Br.Cc1ccnc(N)c1.Cc1ccnc(N[N+](=O)[O-])c1.
What is the InChIKey of 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?
The InChIKey is YTYSZGUPVGQMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6BrN3O2.C6H7N3O2.C6H8N2/c1-4-2-6(9-10(11)12)8-3-5(4)7;1-3-4(7)2-9-6(8)5(3)10(11)12;1-5-2-3-7-6(4-5)8-9(10)11;1-5-2-3-8-6(7)4-5/h2-3H,1H3,(H,8,9);2H,1H3,(H2,8,9);2-4H,1H3,(H,7,8);2-4H,1H3,(H2,7,8).
What are the key properties of 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?
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 has a molecular weight of 725.36 g/mol, XLogP of 5.36, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162014842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).