3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine

C8H10BrN3O2 — CID 79535230

IUPAC3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H10BrN3O2/c1-5(2)11-8-7(9)3-6(4-10-8)12(13)14/h3-5H,1-2H3,(H,10,11)
InChIKeyUPVGJNRMJGQTBW-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.57
Rot. Bonds3

About 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine

3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine (PubChem CID 79535230) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
PubChem CID79535230
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H10BrN3O2/c1-5(2)11-8-7(9)3-6(4-10-8)12(13)14/h3-5H,1-2H3,(H,10,11)
InChIKeyUPVGJNRMJGQTBW-UHFFFAOYSA-N
XLogP2.57
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.57
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

3,5-dinitro-N-propan-2-ylpyridin-2-amine
CID 162519856
3-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79711129
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113415973
3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine
CID 79534618
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-nitropyridin-2-amine
CID 79534255
N-[1-(4-aminophenyl)ethyl]-3-bromo-5-nitropyridin-2-amine
CID 116650576
3-bromo-N-(6-methylheptan-2-yl)-5-nitropyridin-2-amine
CID 79534701
3-bromo-5-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 79534792
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 113338970
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79535149

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine (CID 79535230) is 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine is CC(C)Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine?
The InChIKey is UPVGJNRMJGQTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-5(2)11-8-7(9)3-6(4-10-8)12(13)14/h3-5H,1-2H3,(H,10,11).
What are the key properties of 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine?
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine has a molecular weight of 260.09 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 79535230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).