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

C8H12BrN3O2 — CID 143994172

IUPAC5-bromo-4-methyl-3-nitropyridin-2-amine;ethane
SMILESCC.Cc1c(Br)cnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H6BrN3O2.C2H6/c1-3-4(7)2-9-6(8)5(3)10(11)12;1-2/h2H,1H3,(H2,8,9);1-2H3
InChIKeyWXXRYFBIKRXQOP-UHFFFAOYSA-N
MW262.11 g/mol
LogP2.67
Rot. Bonds1

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

5-bromo-4-methyl-3-nitropyridin-2-amine;ethane (PubChem CID 143994172) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-4-methyl-3-nitropyridin-2-amine;ethane.

Molecular Properties

Compound Name5-bromo-4-methyl-3-nitropyridin-2-amine;ethane
PubChem CID143994172
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-4-methyl-3-nitropyridin-2-amine;ethane
SMILESCC.Cc1c(Br)cnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H6BrN3O2.C2H6/c1-3-4(7)2-9-6(8)5(3)10(11)12;1-2/h2H,1H3,(H2,8,9);1-2H3
InChIKeyWXXRYFBIKRXQOP-UHFFFAOYSA-N
XLogP2.67
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 52.67
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-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine
CID 161111660
5-(4-bromobut-1-ynyl)-4-methyl-3-nitropyridin-2-amine
CID 170466786
5-bromo-3,4-dimethylpyridin-2-amine;ethane
CID 145431930
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
CID 171789738
CID 171789738
4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 133086486
5-bromo-2-(3,3-dimethoxypropoxy)-4-methyl-3-nitropyridine
CID 176695412
4-(6-amino-4-methyl-5-nitro-3-pyridinyl)but-3-enal
CID 170482542
5-(4-chlorobut-1-ynyl)-4-methyl-3-nitropyridin-2-amine
CID 170468411
5-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069132
5-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]-3-nitropyridin-2-amine
CID 46868348
4-bromo-6-fluoro-3-methyl-2-nitroaniline
CID 130562796

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-3-nitropyridin-2-amine;ethane?
The IUPAC name of 5-bromo-4-methyl-3-nitropyridin-2-amine;ethane (CID 143994172) is 5-bromo-4-methyl-3-nitropyridin-2-amine;ethane.
What is the SMILES notation for 5-bromo-4-methyl-3-nitropyridin-2-amine;ethane?
The canonical SMILES for 5-bromo-4-methyl-3-nitropyridin-2-amine;ethane is CC.Cc1c(Br)cnc(N)c1[N+](=O)[O-].
What is the InChIKey of 5-bromo-4-methyl-3-nitropyridin-2-amine;ethane?
The InChIKey is WXXRYFBIKRXQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2.C2H6/c1-3-4(7)2-9-6(8)5(3)10(11)12;1-2/h2H,1H3,(H2,8,9);1-2H3.
What are the key properties of 5-bromo-4-methyl-3-nitropyridin-2-amine;ethane?
5-bromo-4-methyl-3-nitropyridin-2-amine;ethane has a molecular weight of 262.11 g/mol, XLogP of 2.67, 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;ethane is sourced from PubChem (CID 143994172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).