(2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone

C13H13NO2 — CID 114995430

IUPAC(2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)o2)c(C)n1
InChIInChI=1S/C13H13NO2/c1-8-4-6-11(10(3)14-8)13(15)12-7-5-9(2)16-12/h4-7H,1-3H3
InChIKeyWBPJTZOHLLLTBA-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.83
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone

(2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone (PubChem CID 114995430) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone
PubChem CID114995430
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)o2)c(C)n1
InChIInChI=1S/C13H13NO2/c1-8-4-6-11(10(3)14-8)13(15)12-7-5-9(2)16-12/h4-7H,1-3H3
InChIKeyWBPJTZOHLLLTBA-UHFFFAOYSA-N
XLogP2.83
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone (CID 114995430) is (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2ccc(C)o2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is WBPJTZOHLLLTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-4-6-11(10(3)14-8)13(15)12-7-5-9(2)16-12/h4-7H,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone?
(2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 215.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 114995430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).