1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol

C9H12BrN3O3 — CID 79535072

IUPAC1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H12BrN3O3/c1-9(2,14)5-12-8-7(10)3-6(4-11-8)13(15)16/h3-4,14H,5H2,1-2H3,(H,11,12)
InChIKeyLTKFBWVGEYKFLX-UHFFFAOYSA-N
MW290.12 g/mol
LogP1.94
Rot. Bonds4

About 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol

1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol (PubChem CID 79535072) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
PubChem CID79535072
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Name1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H12BrN3O3/c1-9(2,14)5-12-8-7(10)3-6(4-11-8)13(15)16/h3-4,14H,5H2,1-2H3,(H,11,12)
InChIKeyLTKFBWVGEYKFLX-UHFFFAOYSA-N
XLogP1.94
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-tert-butyl-5-nitropyridin-2-amine
CID 82488870
3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 79535237
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112696597
3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine
CID 79535520
3-bromo-N-[(4-fluorophenyl)methyl]-5-nitropyridin-2-amine
CID 79534423
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-5-nitropyridin-2-amine
CID 81090772
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 113410745
methyl 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-2,2,3-trimethylbutanoate
CID 133350091
2-[(3-bromo-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83205044
3-[[(3-bromo-5-nitro-2-pyridinyl)amino]methyl]hexan-1-ol
CID 103730038
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol (CID 79535072) is 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The InChIKey is LTKFBWVGEYKFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-9(2,14)5-12-8-7(10)3-6(4-11-8)13(15)16/h3-4,14H,5H2,1-2H3,(H,11,12).
What are the key properties of 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol?
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol has a molecular weight of 290.12 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79535072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).