2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine

C12H8N4O2 — CID 14183090

IUPAC2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3ccncc3[nH]2)c1
InChIInChI=1S/C12H8N4O2/c17-16(18)9-3-1-2-8(6-9)12-14-10-4-5-13-7-11(10)15-12/h1-7H,(H,14,15)
InChIKeyGYZSMDFIKSQQNB-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine

2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 14183090) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID14183090
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3ccncc3[nH]2)c1
InChIInChI=1S/C12H8N4O2/c17-16(18)9-3-1-2-8(6-9)12-14-10-4-5-13-7-11(10)15-12/h1-7H,(H,14,15)
InChIKeyGYZSMDFIKSQQNB-UHFFFAOYSA-N
XLogP2.53
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile
CID 19864793
methyl 3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoate
CID 100957972
2-(3-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
CID 59680369
2-(3-nitrophenyl)-1H-quinazoline-4-thione
CID 101182954
2-[3-(4-nitrophenoxy)phenyl]-1H-benzimidazole
CID 132847259
2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
CID 19821941
2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
CID 69347834
2-(3-chloro-5-nitrophenyl)-1H-benzimidazole
CID 168553569
2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1,3-thiazole
CID 135822805
3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
6-nitro-2-[3-[(3,5,6-trichloro-2-pyridinyl)oxy]phenyl]-1H-benzimidazole
CID 56935506
6-chloro-2-[5-(3-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674034

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine (CID 14183090) is 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine is O=[N+]([O-])c1cccc(-c2nc3ccncc3[nH]2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is GYZSMDFIKSQQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-16(18)9-3-1-2-8(6-9)12-14-10-4-5-13-7-11(10)15-12/h1-7H,(H,14,15).
What are the key properties of 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine?
2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 240.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 14183090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).