3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine

C14H10N4O2 — CID 174550966

IUPAC3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
SMILESO=[N+]([O-])c1cccc(-n2cnc(-c3cccnc3)c2)c1
InChIInChI=1S/C14H10N4O2/c19-18(20)13-5-1-4-12(7-13)17-9-14(16-10-17)11-3-2-6-15-8-11/h1-10H
InChIKeyJPORQHBSKMJVKS-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.84
Rot. Bonds3

About 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine

3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine (PubChem CID 174550966) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
PubChem CID174550966
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
SMILESO=[N+]([O-])c1cccc(-n2cnc(-c3cccnc3)c2)c1
InChIInChI=1S/C14H10N4O2/c19-18(20)13-5-1-4-12(7-13)17-9-14(16-10-17)11-3-2-6-15-8-11/h1-10H
InChIKeyJPORQHBSKMJVKS-UHFFFAOYSA-N
XLogP2.84
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
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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Related Compounds

2-(4-Nitrophenyl)imidazo(1,2-a)pyridine
CID 201134
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
Panidazole
CID 72080
2-(3-Nitrophenyl)imidazo[1,2-a]pyridine
CID 617391
1-(4-Nitrobenzyl)-1H-imidazole
CID 585819
5-Nitro-2-(4-pyridinyl)-1H-benzimidazole
CID 617535
3-Phenylimidazo(1,5-a)pyridine
CID 606670
6-Nitro-2-(pyridin-3-yl)-1H-benzimidazole
CID 617536
1-(2,4-Dinitrophenyl)benzimidazole
CID 2831910
2-Phenylimidazo[1,2-a]pyrimidine
CID 204149
5-Nitro-1-phenylbenzimidazole
CID 739094

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine?
The IUPAC name of 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine (CID 174550966) is 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine is O=[N+]([O-])c1cccc(-n2cnc(-c3cccnc3)c2)c1.
What is the InChIKey of 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine?
The InChIKey is JPORQHBSKMJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-18(20)13-5-1-4-12(7-13)17-9-14(16-10-17)11-3-2-6-15-8-11/h1-10H.
What are the key properties of 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine?
3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine has a molecular weight of 266.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 174550966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).