2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine

C11H10N4O2 — CID 3631689

IUPAC2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2/c12-8-3-1-2-4-9(8)14-10-5-6-13-7-11(10)15(16)17/h1-7H,12H2,(H,13,14)
InChIKeyWXUYFMQIXXKENB-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.32
Rot. Bonds3

About 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine

2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine (PubChem CID 3631689) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine
PubChem CID3631689
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2/c12-8-3-1-2-4-9(8)14-10-5-6-13-7-11(10)15(16)17/h1-7H,12H2,(H,13,14)
InChIKeyWXUYFMQIXXKENB-UHFFFAOYSA-N
XLogP2.32
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-Nitropyridine N-oxide
CID 14300
5-Nitro-N-phenylpyridin-2-amine
CID 81268
2-(2,4-Dinitrophenyl)aminopyridine
CID 2834447
N-cyclohexyl-3-nitropyridin-4-amine
CID 534612
5-Nitropyridine-3,4-diamine
CID 3370517
Quinoxaline, 6-nitro-
CID 96029
4-Nitropyridine
CID 70734
2-Methyl-3-nitropyridine
CID 329360
4-Amino-3-nitropyridine
CID 548803
Pyridinium, 1-(2,4-dinitrophenyl)-, chloride (1:1)
CID 77850
(4-Fluoro-phenyl)-(3-nitro-pyridin-4-yl)-amine
CID 4053416
3-nitro-N-phenylpyridin-4-amine
CID 612005

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine (CID 3631689) is 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine is Nc1ccccc1Nc1ccncc1[N+](=O)[O-].
What is the InChIKey of 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine?
The InChIKey is WXUYFMQIXXKENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-8-3-1-2-4-9(8)14-10-5-6-13-7-11(10)15(16)17/h1-7H,12H2,(H,13,14).
What are the key properties of 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine?
2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine has a molecular weight of 230.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-nitro-4-pyridinyl)benzene-1,2-diamine is sourced from PubChem (CID 3631689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).