N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine

C10H15BrN4O2 — CID 103519566

IUPACN-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C10H15BrN4O2/c1-7(2)13-3-4-14-10-8(11)5-12-6-9(10)15(16)17/h5-7,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyOVZOQOPSZKPJHN-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.16
Rot. Bonds6

About N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine

N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 103519566) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID103519566
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC NameN-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C10H15BrN4O2/c1-7(2)13-3-4-14-10-8(11)5-12-6-9(10)15(16)17/h5-7,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyOVZOQOPSZKPJHN-UHFFFAOYSA-N
XLogP2.16
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 113428729
3-bromo-5-nitro-N-octylpyridin-4-amine
CID 103519442
3-bromo-N-(3-methylsulfanylpropyl)-5-nitropyridin-4-amine
CID 103878057
N'-(3-bromo-5-nitro-4-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 103519567
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitropyridin-4-amine
CID 103877894
N-(6-bromo-3-nitroquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664666
3-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-4-amine
CID 103519376
3-[(3-bromo-5-nitro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 103877965
N-(5-bromo-4-fluoro-2-nitrophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116739492
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyridin-4-amine
CID 71908121
3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine
CID 103877913
2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide
CID 103877884

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine (CID 103519566) is N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNc1c(Br)cncc1[N+](=O)[O-].
What is the InChIKey of N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is OVZOQOPSZKPJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-7(2)13-3-4-14-10-8(11)5-12-6-9(10)15(16)17/h5-7,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 303.16 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 103519566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).