2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine

C15H12N2O4 — CID 145332594

IUPAC2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
SMILESO=[N+]([O-])c1ccc(Oc2cccc3c2C2(CC2)CO3)cn1
InChIInChI=1S/C15H12N2O4/c18-17(19)13-5-4-10(8-16-13)21-12-3-1-2-11-14(12)15(6-7-15)9-20-11/h1-5,8H,6-7,9H2
InChIKeyVLKCENBWAJFUPE-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.21
Rot. Bonds3

About 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine

2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine (PubChem CID 145332594) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine.

Molecular Properties

Compound Name2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
PubChem CID145332594
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
SMILESO=[N+]([O-])c1ccc(Oc2cccc3c2C2(CC2)CO3)cn1
InChIInChI=1S/C15H12N2O4/c18-17(19)13-5-4-10(8-16-13)21-12-3-1-2-11-14(12)15(6-7-15)9-20-11/h1-5,8H,6-7,9H2
InChIKeyVLKCENBWAJFUPE-UHFFFAOYSA-N
XLogP3.21
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
CID 166804417
N-(1-methyl-4-nitropyrazol-3-yl)-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-amine
CID 167462480
5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine
CID 174492692
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
CID 145045044
4-N,2-dimethyl-4-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyrimidine-4,5-diamine;formaldehyde
CID 167462485
5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine
CID 129247046
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
CID 166064685
methyl 4-fluoro-2-[(6-nitro-3-pyridinyl)oxy]benzoate
CID 67226297
(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione
CID 146486754
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The IUPAC name of 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine (CID 145332594) is 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine.
What is the SMILES notation for 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The canonical SMILES for 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine is O=[N+]([O-])c1ccc(Oc2cccc3c2C2(CC2)CO3)cn1.
What is the InChIKey of 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The InChIKey is VLKCENBWAJFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-17(19)13-5-4-10(8-16-13)21-12-3-1-2-11-14(12)15(6-7-15)9-20-11/h1-5,8H,6-7,9H2.
What are the key properties of 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine has a molecular weight of 284.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine is sourced from PubChem (CID 145332594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).