furan-2-yl-(2-methyl-3-pyridinyl)methanone

C11H9NO2 — CID 105099330

IUPACfuran-2-yl-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1ccco1
InChIInChI=1S/C11H9NO2/c1-8-9(4-2-6-12-8)11(13)10-5-3-7-14-10/h2-7H,1H3
InChIKeyUSPUXYQBRASFJA-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.21
Rot. Bonds2

About furan-2-yl-(2-methyl-3-pyridinyl)methanone

furan-2-yl-(2-methyl-3-pyridinyl)methanone (PubChem CID 105099330) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is furan-2-yl-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(2-methyl-3-pyridinyl)methanone
PubChem CID105099330
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Namefuran-2-yl-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1ccco1
InChIInChI=1S/C11H9NO2/c1-8-9(4-2-6-12-8)11(13)10-5-3-7-14-10/h2-7H,1H3
InChIKeyUSPUXYQBRASFJA-UHFFFAOYSA-N
XLogP2.21
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of furan-2-yl-(2-methyl-3-pyridinyl)methanone (CID 105099330) is furan-2-yl-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for furan-2-yl-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for furan-2-yl-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-(2-methyl-3-pyridinyl)methanone?
The InChIKey is USPUXYQBRASFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-9(4-2-6-12-8)11(13)10-5-3-7-14-10/h2-7H,1H3.
What are the key properties of furan-2-yl-(2-methyl-3-pyridinyl)methanone?
furan-2-yl-(2-methyl-3-pyridinyl)methanone has a molecular weight of 187.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105099330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).