2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine

C16H14N2O4 — CID 67966839

IUPAC2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine
SMILESCC12COc3cccc(Oc4ccc([N+](=O)[O-])cn4)c3C1C2
InChIInChI=1S/C16H14N2O4/c1-16-7-11(16)15-12(21-9-16)3-2-4-13(15)22-14-6-5-10(8-17-14)18(19)20/h2-6,8,11H,7,9H2,1H3
InChIKeySCDIRRMJNNNWII-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.67
Rot. Bonds3

About 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine

2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine (PubChem CID 67966839) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine.

Molecular Properties

Compound Name2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine
PubChem CID67966839
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine
SMILESCC12COc3cccc(Oc4ccc([N+](=O)[O-])cn4)c3C1C2
InChIInChI=1S/C16H14N2O4/c1-16-7-11(16)15-12(21-9-16)3-2-4-13(15)22-14-6-5-10(8-17-14)18(19)20/h2-6,8,11H,7,9H2,1H3
InChIKeySCDIRRMJNNNWII-UHFFFAOYSA-N
XLogP3.67
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine?
The IUPAC name of 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine (CID 67966839) is 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine.
What is the SMILES notation for 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine?
The canonical SMILES for 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine is CC12COc3cccc(Oc4ccc([N+](=O)[O-])cn4)c3C1C2.
What is the InChIKey of 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine?
The InChIKey is SCDIRRMJNNNWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-16-7-11(16)15-12(21-9-16)3-2-4-13(15)22-14-6-5-10(8-17-14)18(19)20/h2-6,8,11H,7,9H2,1H3.
What are the key properties of 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine?
2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine has a molecular weight of 298.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine is sourced from PubChem (CID 67966839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).