7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde

C13H8N4O4 — CID 22055735

IUPAC7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2c(Oc3ccc([N+](=O)[O-])cn3)cccc12
InChIInChI=1S/C13H8N4O4/c18-7-10-9-2-1-3-11(13(9)16-15-10)21-12-5-4-8(6-14-12)17(19)20/h1-7H,(H,15,16)
InChIKeyVMCQMHQLTACSMX-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.47
Rot. Bonds4

About 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde

7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde (PubChem CID 22055735) has the molecular formula C13H8N4O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde
PubChem CID22055735
Molecular FormulaC13H8N4O4
Molecular Weight284.23 g/mol
Exact Mass284.05
IUPAC Name7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2c(Oc3ccc([N+](=O)[O-])cn3)cccc12
InChIInChI=1S/C13H8N4O4/c18-7-10-9-2-1-3-11(13(9)16-15-10)21-12-5-4-8(6-14-12)17(19)20/h1-7H,(H,15,16)
InChIKeyVMCQMHQLTACSMX-UHFFFAOYSA-N
XLogP2.47
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
2-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295
3-[[5-nitro-2-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 4568883
3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde
CID 737857
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
CID 60870486
2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
CID 24507910
(4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 6301106
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
(4E)-4-[[3-methoxy-2-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 6309285
methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54065265

Frequently Asked Questions

What is the IUPAC name of 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde?
The IUPAC name of 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde (CID 22055735) is 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde?
The canonical SMILES for 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2c(Oc3ccc([N+](=O)[O-])cn3)cccc12.
What is the InChIKey of 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde?
The InChIKey is VMCQMHQLTACSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O4/c18-7-10-9-2-1-3-11(13(9)16-15-10)21-12-5-4-8(6-14-12)17(19)20/h1-7H,(H,15,16).
What are the key properties of 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde?
7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde has a molecular weight of 284.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 22055735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).