2-nitro-N-(pyridin-2-ylmethyl)ethenamine

C8H9N3O2 — CID 67930852

IUPAC2-nitro-N-(pyridin-2-ylmethyl)ethenamine
SMILESO=[N+]([O-])C=CNCc1ccccn1
InChIInChI=1S/C8H9N3O2/c12-11(13)6-5-9-7-8-3-1-2-4-10-8/h1-6,9H,7H2
InChIKeyCMYKEUVITBMOGN-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.92
Rot. Bonds4

About 2-nitro-N-(pyridin-2-ylmethyl)ethenamine

2-nitro-N-(pyridin-2-ylmethyl)ethenamine (PubChem CID 67930852) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-nitro-N-(pyridin-2-ylmethyl)ethenamine.

Molecular Properties

Compound Name2-nitro-N-(pyridin-2-ylmethyl)ethenamine
PubChem CID67930852
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-nitro-N-(pyridin-2-ylmethyl)ethenamine
SMILESO=[N+]([O-])C=CNCc1ccccn1
InChIInChI=1S/C8H9N3O2/c12-11(13)6-5-9-7-8-3-1-2-4-10-8/h1-6,9H,7H2
InChIKeyCMYKEUVITBMOGN-UHFFFAOYSA-N
XLogP0.92
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 66810165
2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine
CID 66707738
methyl (2E,4E)-5-(pyridin-2-ylmethylamino)penta-2,4-dienoate
CID 10846468
2,6-dichloro-4-nitro-N-(pyridin-2-ylmethyl)aniline
CID 104916973
3-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43461683
2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63063473
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
2,4-dinitro-N-(pyridin-2-ylmethyl)aniline
CID 3442927
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
4-nitro-1-N-(pyridin-2-ylmethyl)benzene-1,3-diamine
CID 91671674
N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine
CID 63746291

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(pyridin-2-ylmethyl)ethenamine?
The IUPAC name of 2-nitro-N-(pyridin-2-ylmethyl)ethenamine (CID 67930852) is 2-nitro-N-(pyridin-2-ylmethyl)ethenamine.
What is the SMILES notation for 2-nitro-N-(pyridin-2-ylmethyl)ethenamine?
The canonical SMILES for 2-nitro-N-(pyridin-2-ylmethyl)ethenamine is O=[N+]([O-])C=CNCc1ccccn1.
What is the InChIKey of 2-nitro-N-(pyridin-2-ylmethyl)ethenamine?
The InChIKey is CMYKEUVITBMOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-11(13)6-5-9-7-8-3-1-2-4-10-8/h1-6,9H,7H2.
What are the key properties of 2-nitro-N-(pyridin-2-ylmethyl)ethenamine?
2-nitro-N-(pyridin-2-ylmethyl)ethenamine has a molecular weight of 179.18 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(pyridin-2-ylmethyl)ethenamine is sourced from PubChem (CID 67930852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).