2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine

C10H9ClN4O2 — CID 15753505

IUPAC2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine
SMILESO=[N+]([O-])/C=C1\NC=CN1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H9ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-5,7,12H,6H2/b10-7+
InChIKeyFLOMZNVQFVMELR-JXMROGBWSA-N
MW252.66 g/mol
LogP1.69
Rot. Bonds3

About 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine

2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine (PubChem CID 15753505) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine
PubChem CID15753505
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine
SMILESO=[N+]([O-])/C=C1\NC=CN1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H9ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-5,7,12H,6H2/b10-7+
InChIKeyFLOMZNVQFVMELR-JXMROGBWSA-N
XLogP1.69
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine (CID 15753505) is 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine is O=[N+]([O-])/C=C1\NC=CN1Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine?
The InChIKey is FLOMZNVQFVMELR-JXMROGBWSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-5,7,12H,6H2/b10-7+.
What are the key properties of 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine?
2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine has a molecular weight of 252.66 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2E)-2-(nitromethylidene)-1H-imidazol-3-yl]methyl]pyridine is sourced from PubChem (CID 15753505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).