6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine

C11H11N5O2 — CID 79825461

IUPAC6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine
SMILESNc1cccc(Nc2ccc([N+](=O)[O-])c(N)n2)c1
InChIInChI=1S/C11H11N5O2/c12-7-2-1-3-8(6-7)14-10-5-4-9(16(17)18)11(13)15-10/h1-6H,12H2,(H3,13,14,15)
InChIKeyZTPDSIBGGXMYSG-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.90
Rot. Bonds3

About 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine

6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine (PubChem CID 79825461) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine
PubChem CID79825461
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine
SMILESNc1cccc(Nc2ccc([N+](=O)[O-])c(N)n2)c1
InChIInChI=1S/C11H11N5O2/c12-7-2-1-3-8(6-7)14-10-5-4-9(16(17)18)11(13)15-10/h1-6H,12H2,(H3,13,14,15)
InChIKeyZTPDSIBGGXMYSG-UHFFFAOYSA-N
XLogP1.90
TPSA120.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 79173832
5-(3-aminoanilino)-2-nitrophenol
CID 118874786
4-[(6-amino-5-nitro-2-pyridinyl)amino]benzoic acid
CID 79826488
3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
CID 2783708
3-N-quinolin-2-ylbenzene-1,3-diamine
CID 24695043
3-N-[6-(4-methylpiperazin-1-yl)-3-nitro-2-pyridinyl]benzene-1,3-diamine
CID 67995022
3-nitro-6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 79826302
3-N-(3-ethoxy-4-nitrophenyl)benzene-1,3-diamine
CID 63670571
3-nitro-2-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 80759844
6-N-[(4-aminophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 116650455
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
3-N-(3-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 55081029

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine (CID 79825461) is 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine is Nc1cccc(Nc2ccc([N+](=O)[O-])c(N)n2)c1.
What is the InChIKey of 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine?
The InChIKey is ZTPDSIBGGXMYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-7-2-1-3-8(6-7)14-10-5-4-9(16(17)18)11(13)15-10/h1-6H,12H2,(H3,13,14,15).
What are the key properties of 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine?
6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine has a molecular weight of 245.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 79825461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).