N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine

C13H14N4O2 — CID 37104675

IUPACN-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine
SMILESO=[N+]([O-])c1ccccc1NCCNc1ccccn1
InChIInChI=1S/C13H14N4O2/c18-17(19)12-6-2-1-5-11(12)14-9-10-16-13-7-3-4-8-15-13/h1-8,14H,9-10H2,(H,15,16)
InChIKeyHVBFRULICWSCRP-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.51
Rot. Bonds6

About N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine

N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 37104675) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID37104675
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine
SMILESO=[N+]([O-])c1ccccc1NCCNc1ccccn1
InChIInChI=1S/C13H14N4O2/c18-17(19)12-6-2-1-5-11(12)14-9-10-16-13-7-3-4-8-15-13/h1-8,14H,9-10H2,(H,15,16)
InChIKeyHVBFRULICWSCRP-UHFFFAOYSA-N
XLogP2.51
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.51
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

N-(4-fluoro-2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine
CID 47121117
3-nitro-4-[2-(pyridin-2-ylamino)ethylamino]benzonitrile
CID 43033780
1-[3-nitro-4-[2-(pyridin-2-ylamino)ethylamino]phenyl]ethanone
CID 37104641
N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096
2-(2-nitroanilino)ethylazanium iodide
CID 158180928
2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline
CID 19710464
1-ethyl-3-[2-(2-nitroanilino)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110968758
trimethyl-[2-(2-nitroanilino)ethyl]azanium
CID 18993728
N-(3-methylbutyl)-2-nitroaniline
CID 21476259
N-(2-methylsulfanylethyl)-2-nitroaniline
CID 57436053
methyl 5-nitro-2-[2-(pyridin-2-ylamino)ethylamino]benzoate
CID 36566494

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine (CID 37104675) is N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine is O=[N+]([O-])c1ccccc1NCCNc1ccccn1.
What is the InChIKey of N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is HVBFRULICWSCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-17(19)12-6-2-1-5-11(12)14-9-10-16-13-7-3-4-8-15-13/h1-8,14H,9-10H2,(H,15,16).
What are the key properties of N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine?
N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 258.28 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 37104675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).