1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole

C12H8N4O3 — CID 59754587

IUPAC1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole
SMILESO=[N+]([O-])c1ccc2nc(-c3ccncc3)n(O)c2c1
InChIInChI=1S/C12H8N4O3/c17-15-11-7-9(16(18)19)1-2-10(11)14-12(15)8-3-5-13-6-4-8/h1-7,17H
InChIKeyQZXWUXPOTJZWSK-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.24
Rot. Bonds2

About 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole

1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole (PubChem CID 59754587) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole.

Molecular Properties

Compound Name1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole
PubChem CID59754587
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole
SMILESO=[N+]([O-])c1ccc2nc(-c3ccncc3)n(O)c2c1
InChIInChI=1S/C12H8N4O3/c17-15-11-7-9(16(18)19)1-2-10(11)14-12(15)8-3-5-13-6-4-8/h1-7,17H
InChIKeyQZXWUXPOTJZWSK-UHFFFAOYSA-N
XLogP2.24
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
2-(4-chlorophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 1476973
1-hydroxy-6-nitro-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 11163755
1-hydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-6-nitrobenzimidazole
CID 11382629
2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole
CID 10332908
1-hydroxy-2-(3-methoxy-4-methylphenyl)-6-nitrobenzimidazole
CID 59754393
2-(2-bromophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 59754361
4-hydroxy-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11718063
1-hydroxy-6-nitro-2-[3-(trifluoromethoxy)phenyl]benzimidazole
CID 11405030
3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11589237
4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11632703
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 73024051

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole?
The IUPAC name of 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole (CID 59754587) is 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole.
What is the SMILES notation for 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole?
The canonical SMILES for 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole is O=[N+]([O-])c1ccc2nc(-c3ccncc3)n(O)c2c1.
What is the InChIKey of 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole?
The InChIKey is QZXWUXPOTJZWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-15-11-7-9(16(18)19)1-2-10(11)14-12(15)8-3-5-13-6-4-8/h1-7,17H.
What are the key properties of 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole?
1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole has a molecular weight of 256.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 59754587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).