3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine

C10H12N4O2 — CID 3037415

IUPAC3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
SMILESO=[N+]([O-])/C=C1/NCCN1Cc1cccnc1
InChIInChI=1S/C10H12N4O2/c15-14(16)8-10-12-4-5-13(10)7-9-2-1-3-11-6-9/h1-3,6,8,12H,4-5,7H2/b10-8-
InChIKeyPWHOPRHAWMKNIM-NTMALXAHSA-N
MW220.23 g/mol
LogP0.56
Rot. Bonds3

About 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine

3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine (PubChem CID 3037415) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
PubChem CID3037415
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
SMILESO=[N+]([O-])/C=C1/NCCN1Cc1cccnc1
InChIInChI=1S/C10H12N4O2/c15-14(16)8-10-12-4-5-13(10)7-9-2-1-3-11-6-9/h1-3,6,8,12H,4-5,7H2/b10-8-
InChIKeyPWHOPRHAWMKNIM-NTMALXAHSA-N
XLogP0.56
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine (CID 3037415) is 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine is O=[N+]([O-])/C=C1/NCCN1Cc1cccnc1.
What is the InChIKey of 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine?
The InChIKey is PWHOPRHAWMKNIM-NTMALXAHSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-14(16)8-10-12-4-5-13(10)7-9-2-1-3-11-6-9/h1-3,6,8,12H,4-5,7H2/b10-8-.
What are the key properties of 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine?
3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine has a molecular weight of 220.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 3037415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).