1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine

C9H14N4O2 — CID 63730786

IUPAC1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
SMILESCCC(N)CNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C9H14N4O2/c1-2-7(10)5-11-8-3-4-9(12-6-8)13(14)15/h3-4,6-7,11H,2,5,10H2,1H3
InChIKeyFNCJBJMKXVSWCM-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.14
Rot. Bonds5

About 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine

1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine (PubChem CID 63730786) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
PubChem CID63730786
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
SMILESCCC(N)CNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C9H14N4O2/c1-2-7(10)5-11-8-3-4-9(12-6-8)13(14)15/h3-4,6-7,11H,2,5,10H2,1H3
InChIKeyFNCJBJMKXVSWCM-UHFFFAOYSA-N
XLogP1.14
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.14
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

N-(2-ethylhexyl)-6-nitropyridin-3-amine
CID 103614336
6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 78993003
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
1-N-(3-nitrophenyl)butane-1,2-diamine
CID 63730793
N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
CID 103724988
N-benzyl-6-nitropyridin-3-amine
CID 55024435
N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982
2-methyl-2-[(6-nitro-3-pyridinyl)amino]butanoic acid
CID 79792047
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
2-[(6-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 62542575

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine?
The IUPAC name of 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine (CID 63730786) is 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine is CCC(N)CNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine?
The InChIKey is FNCJBJMKXVSWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-7(10)5-11-8-3-4-9(12-6-8)13(14)15/h3-4,6-7,11H,2,5,10H2,1H3.
What are the key properties of 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine?
1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine is sourced from PubChem (CID 63730786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).