2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine

C10H10Cl2N4O2 — CID 3155275

IUPAC2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine
SMILESO=[N+]([O-])/C(Cl)=C1\NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H10Cl2N4O2/c11-8-2-1-7(5-14-8)6-15-4-3-13-10(15)9(12)16(17)18/h1-2,5,13H,3-4,6H2/b10-9+
InChIKeyKQMIEXUFXYXHMY-MDZDMXLPSA-N
MW289.12 g/mol
LogP1.78
Rot. Bonds3

About 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine

2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine (PubChem CID 3155275) has the molecular formula C10H10Cl2N4O2 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine
PubChem CID3155275
Molecular FormulaC10H10Cl2N4O2
Molecular Weight289.12 g/mol
Exact Mass288.02
IUPAC Name2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine
SMILESO=[N+]([O-])/C(Cl)=C1\NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H10Cl2N4O2/c11-8-2-1-7(5-14-8)6-15-4-3-13-10(15)9(12)16(17)18/h1-2,5,13H,3-4,6H2/b10-9+
InChIKeyKQMIEXUFXYXHMY-MDZDMXLPSA-N
XLogP1.78
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine (CID 3155275) is 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine is O=[N+]([O-])/C(Cl)=C1\NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine?
The InChIKey is KQMIEXUFXYXHMY-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2/c11-8-2-1-7(5-14-8)6-15-4-3-13-10(15)9(12)16(17)18/h1-2,5,13H,3-4,6H2/b10-9+.
What are the key properties of 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine?
2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine has a molecular weight of 289.12 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2Z)-2-[chloro(nitro)methylidene]imidazolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 3155275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).