methyl 4-pyridin-2-ylcubane-1-carboxylate

C15H13NO2 — CID 166636836

IUPACmethyl 4-pyridin-2-ylcubane-1-carboxylate
SMILESCOC(=O)C12C3C4C1C1C2C3C41c1ccccn1
InChIInChI=1S/C15H13NO2/c1-18-13(17)15-10-7-11(15)9-12(15)8(10)14(7,9)6-4-2-3-5-16-6/h2-5,7-12H,1H3
InChIKeyKYIXCEGXZYTZJD-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.24
Rot. Bonds2

About methyl 4-pyridin-2-ylcubane-1-carboxylate

methyl 4-pyridin-2-ylcubane-1-carboxylate (PubChem CID 166636836) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-pyridin-2-ylcubane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyridin-2-ylcubane-1-carboxylate
PubChem CID166636836
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl 4-pyridin-2-ylcubane-1-carboxylate
SMILESCOC(=O)C12C3C4C1C1C2C3C41c1ccccn1
InChIInChI=1S/C15H13NO2/c1-18-13(17)15-10-7-11(15)9-12(15)8(10)14(7,9)6-4-2-3-5-16-6/h2-5,7-12H,1H3
InChIKeyKYIXCEGXZYTZJD-UHFFFAOYSA-N
XLogP1.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-pyridin-2-ylcubane-1-carboxylate?
The IUPAC name of methyl 4-pyridin-2-ylcubane-1-carboxylate (CID 166636836) is methyl 4-pyridin-2-ylcubane-1-carboxylate.
What is the SMILES notation for methyl 4-pyridin-2-ylcubane-1-carboxylate?
The canonical SMILES for methyl 4-pyridin-2-ylcubane-1-carboxylate is COC(=O)C12C3C4C1C1C2C3C41c1ccccn1.
What is the InChIKey of methyl 4-pyridin-2-ylcubane-1-carboxylate?
The InChIKey is KYIXCEGXZYTZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-13(17)15-10-7-11(15)9-12(15)8(10)14(7,9)6-4-2-3-5-16-6/h2-5,7-12H,1H3.
What are the key properties of methyl 4-pyridin-2-ylcubane-1-carboxylate?
methyl 4-pyridin-2-ylcubane-1-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyridin-2-ylcubane-1-carboxylate is sourced from PubChem (CID 166636836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).