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

C12H11NO2 — CID 82729679

IUPAC(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
SMILESCCc1cccnc1C(=O)c1ccco1
InChIInChI=1S/C12H11NO2/c1-2-9-5-3-7-13-11(9)12(14)10-6-4-8-15-10/h3-8H,2H2,1H3
InChIKeyBRZMSLVMSPGXGQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.47
Rot. Bonds3

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

(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone (PubChem CID 82729679) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
PubChem CID82729679
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
SMILESCCc1cccnc1C(=O)c1ccco1
InChIInChI=1S/C12H11NO2/c1-2-9-5-3-7-13-11(9)12(14)10-6-4-8-15-10/h3-8H,2H2,1H3
InChIKeyBRZMSLVMSPGXGQ-UHFFFAOYSA-N
XLogP2.47
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543464
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone
CID 130579324
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
CID 82730694
(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330218
(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 82730704
(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128400
3-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 140674320
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone (CID 82729679) is (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone is CCc1cccnc1C(=O)c1ccco1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone?
The InChIKey is BRZMSLVMSPGXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-9-5-3-7-13-11(9)12(14)10-6-4-8-15-10/h3-8H,2H2,1H3.
What are the key properties of (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone?
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone has a molecular weight of 201.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-(furan-2-yl)methanone is sourced from PubChem (CID 82729679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).