2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol

C14H10N4O3 — CID 174616618

IUPAC2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol
SMILESO=[N+]([O-])c1ccc(-c2cn(-c3cccnc3)cn2)cc1O
InChIInChI=1S/C14H10N4O3/c19-14-6-10(3-4-13(14)18(20)21)12-8-17(9-16-12)11-2-1-5-15-7-11/h1-9,19H
InChIKeyYKDHOMZGHLLACG-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.55
Rot. Bonds3

About 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol

2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol (PubChem CID 174616618) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol.

Molecular Properties

Compound Name2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol
PubChem CID174616618
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol
SMILESO=[N+]([O-])c1ccc(-c2cn(-c3cccnc3)cn2)cc1O
InChIInChI=1S/C14H10N4O3/c19-14-6-10(3-4-13(14)18(20)21)12-8-17(9-16-12)11-2-1-5-15-7-11/h1-9,19H
InChIKeyYKDHOMZGHLLACG-UHFFFAOYSA-N
XLogP2.55
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine
CID 174551117
3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
CID 174550966
2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile
CID 174616543
2-nitro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 67026095
2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine
CID 174551065
1-pyridin-3-ylimidazol-4-amine
CID 66520794
3-(4-bromoimidazol-1-yl)pyridine
CID 66520793
4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
CID 118197517
4-[4-(4-nitrophenyl)imidazol-1-yl]aniline
CID 58324091
5-(4-chlorophenyl)-2-nitrophenol
CID 165357612
3-(4-fluorophenyl)-5-methyl-4-(1-pyridin-3-ylimidazol-4-yl)-1,2-oxazole
CID 23725201
tert-butyl 1-pyridin-3-ylimidazole-4-carboxylate
CID 15069639

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol?
The IUPAC name of 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol (CID 174616618) is 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol.
What is the SMILES notation for 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol?
The canonical SMILES for 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol is O=[N+]([O-])c1ccc(-c2cn(-c3cccnc3)cn2)cc1O.
What is the InChIKey of 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol?
The InChIKey is YKDHOMZGHLLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14-6-10(3-4-13(14)18(20)21)12-8-17(9-16-12)11-2-1-5-15-7-11/h1-9,19H.
What are the key properties of 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol?
2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol has a molecular weight of 282.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol is sourced from PubChem (CID 174616618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).