3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine

C11H10N4O2 — CID 178189598

IUPAC3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine
SMILESO=[N+]([O-])C1C=C/C(=N\Cc2ccccn2)N=C1
InChIInChI=1S/C11H10N4O2/c16-15(17)10-4-5-11(14-8-10)13-7-9-3-1-2-6-12-9/h1-6,8,10H,7H2/b13-11+
InChIKeyBDZBVQUNQSRLPC-ACCUITESSA-N
MW230.23 g/mol
LogP1.27
Rot. Bonds3

About 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine

3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine (PubChem CID 178189598) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine.

Molecular Properties

Compound Name3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine
PubChem CID178189598
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine
SMILESO=[N+]([O-])C1C=C/C(=N\Cc2ccccn2)N=C1
InChIInChI=1S/C11H10N4O2/c16-15(17)10-4-5-11(14-8-10)13-7-9-3-1-2-6-12-9/h1-6,8,10H,7H2/b13-11+
InChIKeyBDZBVQUNQSRLPC-ACCUITESSA-N
XLogP1.27
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine
CID 100575102
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine
CID 66668058
5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
CID 71861591
2-nitro-1-N,1-N'-bis[2-(pyridin-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine
CID 21435077
2-nitro-N-(pyridin-2-ylmethyl)ethenamine
CID 67930852
3-(4-nitrophenyl)-4-phenylsulfanyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110541133
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
phenyl(pyridin-2-ylmethyl)diazene
CID 54008576
2-hexylpyridine;nitric acid
CID 174876958
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine?
The IUPAC name of 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine (CID 178189598) is 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine.
What is the SMILES notation for 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine?
The canonical SMILES for 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine is O=[N+]([O-])C1C=C/C(=N\Cc2ccccn2)N=C1.
What is the InChIKey of 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine?
The InChIKey is BDZBVQUNQSRLPC-ACCUITESSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-15(17)10-4-5-11(14-8-10)13-7-9-3-1-2-6-12-9/h1-6,8,10H,7H2/b13-11+.
What are the key properties of 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine?
3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine has a molecular weight of 230.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine is sourced from PubChem (CID 178189598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).