3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

C12H8N4O2 — CID 135062924

IUPAC3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1c(-c2ccncc2)[nH]c2ncccc12
InChIInChI=1S/C12H8N4O2/c17-16(18)11-9-2-1-5-14-12(9)15-10(11)8-3-6-13-7-4-8/h1-7H,(H,14,15)
InChIKeyBOPVKUNQIWUHNZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.53
Rot. Bonds2

About 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 135062924) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID135062924
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1c(-c2ccncc2)[nH]c2ncccc12
InChIInChI=1S/C12H8N4O2/c17-16(18)11-9-2-1-5-14-12(9)15-10(11)8-3-6-13-7-4-8/h1-7H,(H,14,15)
InChIKeyBOPVKUNQIWUHNZ-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

2-(4-Nitrophenyl)imidazo(1,2-a)pyridine
CID 201134
PD-169316
CID 4712
6-Nitro-2-(2-pyridyl)benzimidazole
CID 100489
N6-(4-Nitrobenzyl)-N2-[3-(trifluoromethyl)benzyl]-3H-purine-2,6-diamine
CID 16760513
2-(3-Nitrophenyl)imidazo[1,2-a]pyridine
CID 617391
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
5-Nitro-2-(4-pyridinyl)-1H-benzimidazole
CID 617535
6-Nitro-2-(pyridin-3-yl)-1H-benzimidazole
CID 617536
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
3-nitro-9H-pyrido[3,4-b]indole
CID 4713455
6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538774

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 135062924) is 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is O=[N+]([O-])c1c(-c2ccncc2)[nH]c2ncccc12.
What is the InChIKey of 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BOPVKUNQIWUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-16(18)11-9-2-1-5-14-12(9)15-10(11)8-3-6-13-7-4-8/h1-7H,(H,14,15).
What are the key properties of 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]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 3-nitro-2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135062924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).