2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine

C15H13ClN4O3 — CID 74429354

IUPAC2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine
SMILESO=[N+]([O-])C(=Cc1ccoc1)C1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C15H13ClN4O3/c16-14-2-1-12(8-18-14)9-19-5-4-17-15(19)13(20(21)22)7-11-3-6-23-10-11/h1-3,6-8,10H,4-5,9H2
InChIKeyCLZYEGGNUSFNKV-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.86
Rot. Bonds5

About 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine

2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine (PubChem CID 74429354) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine
PubChem CID74429354
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine
SMILESO=[N+]([O-])C(=Cc1ccoc1)C1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C15H13ClN4O3/c16-14-2-1-12(8-18-14)9-19-5-4-17-15(19)13(20(21)22)7-11-3-6-23-10-11/h1-3,6-8,10H,4-5,9H2
InChIKeyCLZYEGGNUSFNKV-UHFFFAOYSA-N
XLogP2.86
TPSA84.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine (CID 74429354) is 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine is O=[N+]([O-])C(=Cc1ccoc1)C1=NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine?
The InChIKey is CLZYEGGNUSFNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-14-2-1-12(8-18-14)9-19-5-4-17-15(19)13(20(21)22)7-11-3-6-23-10-11/h1-3,6-8,10H,4-5,9H2.
What are the key properties of 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine?
2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine has a molecular weight of 332.75 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-[2-(furan-3-yl)-1-nitroethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 74429354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).