(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone

C12H11NO2 — CID 104789232

IUPAC(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccoc2C)cn1
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(7-13-8)12(14)11-5-6-15-9(11)2/h3-7H,1-2H3
InChIKeyBQOORYXEQPZZOV-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.52
Rot. Bonds2

About (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone

(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 104789232) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID104789232
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccoc2C)cn1
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(7-13-8)12(14)11-5-6-15-9(11)2/h3-7H,1-2H3
InChIKeyBQOORYXEQPZZOV-UHFFFAOYSA-N
XLogP2.52
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
CID 104789316
(2-methylfuran-3-yl)-quinolin-3-ylmethanone
CID 104789375
(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
CID 115481887
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
(2-amino-3-pyridinyl)-(2-methylfuran-3-yl)methanone
CID 104789356
(3-chloro-4-pyridinyl)-(6-methyl-3-pyridinyl)methanone
CID 105098887
(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone
CID 43462697
(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104789248
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
(2-methoxy-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 106790353
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
CID 5376055

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone (CID 104789232) is (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2ccoc2C)cn1.
What is the InChIKey of (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is BQOORYXEQPZZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-4-10(7-13-8)12(14)11-5-6-15-9(11)2/h3-7H,1-2H3.
What are the key properties of (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone?
(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 201.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 104789232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).