methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate

C14H15NO3 — CID 42648587

IUPACmethyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=C(C)OC(c2cccnc2)C(C)=C1
InChIInChI=1S/C14H15NO3/c1-9-7-12(14(16)17-3)10(2)18-13(9)11-5-4-6-15-8-11/h4-8,13H,1-3H3
InChIKeyGWYGBBBOUWJXSQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.55
Rot. Bonds2

About methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate

methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate (PubChem CID 42648587) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate
PubChem CID42648587
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=C(C)OC(c2cccnc2)C(C)=C1
InChIInChI=1S/C14H15NO3/c1-9-7-12(14(16)17-3)10(2)18-13(9)11-5-4-6-15-8-11/h4-8,13H,1-3H3
InChIKeyGWYGBBBOUWJXSQ-UHFFFAOYSA-N
XLogP2.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate?
The IUPAC name of methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate (CID 42648587) is methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate?
The canonical SMILES for methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate is COC(=O)C1=C(C)OC(c2cccnc2)C(C)=C1.
What is the InChIKey of methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate?
The InChIKey is GWYGBBBOUWJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-7-12(14(16)17-3)10(2)18-13(9)11-5-4-6-15-8-11/h4-8,13H,1-3H3.
What are the key properties of methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate?
methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,6-dimethyl-2-pyridin-3-yl-2H-pyran-5-carboxylate is sourced from PubChem (CID 42648587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).