1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine

C13H14N6O2 — CID 86181783

IUPAC1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine
SMILESCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cn2)c(N)c1
InChIInChI=1S/C13H14N6O2/c1-18(2)9-3-5-12(11(14)7-9)16-17-13-6-4-10(8-15-13)19(20)21/h3-8H,14H2,1-2H3/b17-16+
InChIKeyIUOLVOFADVQQRL-WUKNDPDISA-N
MW286.30 g/mol
LogP3.05
Rot. Bonds4

About 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine

1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine (PubChem CID 86181783) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine
PubChem CID86181783
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine
SMILESCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cn2)c(N)c1
InChIInChI=1S/C13H14N6O2/c1-18(2)9-3-5-12(11(14)7-9)16-17-13-6-4-10(8-15-13)19(20)21/h3-8H,14H2,1-2H3/b17-16+
InChIKeyIUOLVOFADVQQRL-WUKNDPDISA-N
XLogP3.05
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
CID 136665588
N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline
CID 4296139
2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol
CID 135552954
4-[2,5-dimethyl-4-(5-nitro-2-pyridinyl)phenyl]-N,N-dimethylaniline
CID 20585514
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
CID 172638148
2-isothiocyanato-5-nitropyridine
CID 12866943
methane;5-nitropyridin-2-amine
CID 174857781
ethyl-methyl-[(5-nitro-2-pyridinyl)imino]-oxo-λ6-sulfane
CID 125450837
N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline
CID 15535148
2-chloro-5-nitropyridine;6-chloropyridin-3-amine
CID 87669080
N,N-dimethyl-7-nitro-9H-fluoren-2-amine
CID 3762473
N-[5-(dimethylamino)-2-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]acetamide
CID 12598914

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine (CID 86181783) is 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine is CN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cn2)c(N)c1.
What is the InChIKey of 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine?
The InChIKey is IUOLVOFADVQQRL-WUKNDPDISA-N. The full InChI is InChI=1S/C13H14N6O2/c1-18(2)9-3-5-12(11(14)7-9)16-17-13-6-4-10(8-15-13)19(20)21/h3-8H,14H2,1-2H3/b17-16+.
What are the key properties of 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine?
1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine has a molecular weight of 286.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine is sourced from PubChem (CID 86181783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).