3-bromo-N-tert-butyl-5-nitropyridin-2-amine

C9H12BrN3O2 — CID 82488870

IUPAC3-bromo-N-tert-butyl-5-nitropyridin-2-amine
SMILESCC(C)(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H12BrN3O2/c1-9(2,3)12-8-7(10)4-6(5-11-8)13(14)15/h4-5H,1-3H3,(H,11,12)
InChIKeyYVPFGEAKTGMJHI-UHFFFAOYSA-N
MW274.12 g/mol
LogP2.96
Rot. Bonds2

About 3-bromo-N-tert-butyl-5-nitropyridin-2-amine

3-bromo-N-tert-butyl-5-nitropyridin-2-amine (PubChem CID 82488870) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 3-bromo-N-tert-butyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-tert-butyl-5-nitropyridin-2-amine
PubChem CID82488870
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name3-bromo-N-tert-butyl-5-nitropyridin-2-amine
SMILESCC(C)(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H12BrN3O2/c1-9(2,3)12-8-7(10)4-6(5-11-8)13(14)15/h4-5H,1-3H3,(H,11,12)
InChIKeyYVPFGEAKTGMJHI-UHFFFAOYSA-N
XLogP2.96
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 52.96
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

3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine
CID 79535520
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79535072
methyl 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-2,2,3-trimethylbutanoate
CID 133350091
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine
CID 79534514
N-[1-(4-aminophenyl)ethyl]-3-bromo-5-nitropyridin-2-amine
CID 116650576
3-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 107268940
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 79535237
3-bromo-5-nitro-N-(2-phenylpropyl)pyridin-2-amine
CID 104591694
N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79534620
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112696597

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tert-butyl-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-N-tert-butyl-5-nitropyridin-2-amine (CID 82488870) is 3-bromo-N-tert-butyl-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-tert-butyl-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-N-tert-butyl-5-nitropyridin-2-amine is CC(C)(C)Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-N-tert-butyl-5-nitropyridin-2-amine?
The InChIKey is YVPFGEAKTGMJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-9(2,3)12-8-7(10)4-6(5-11-8)13(14)15/h4-5H,1-3H3,(H,11,12).
What are the key properties of 3-bromo-N-tert-butyl-5-nitropyridin-2-amine?
3-bromo-N-tert-butyl-5-nitropyridin-2-amine has a molecular weight of 274.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tert-butyl-5-nitropyridin-2-amine is sourced from PubChem (CID 82488870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).