(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone

C12H11NOS — CID 82730250

IUPAC(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
SMILESCCc1cccnc1C(=O)c1cccs1
InChIInChI=1S/C12H11NOS/c1-2-9-5-3-7-13-11(9)12(14)10-6-4-8-15-10/h3-8H,2H2,1H3
InChIKeyYEJGAHFUVMOEFB-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.94
Rot. Bonds3

About (3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone

(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone (PubChem CID 82730250) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
PubChem CID82730250
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
SMILESCCc1cccnc1C(=O)c1cccs1
InChIInChI=1S/C12H11NOS/c1-2-9-5-3-7-13-11(9)12(14)10-6-4-8-15-10/h3-8H,2H2,1H3
InChIKeyYEJGAHFUVMOEFB-UHFFFAOYSA-N
XLogP2.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
CID 103443291
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
CID 82729679
isoquinolin-1-yl(thiophen-2-yl)methanone
CID 4738060
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
CID 82730694
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543464
2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone
CID 130579324
(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128400
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
2-pyridazin-3-yl-1-thiophen-2-ylethanone
CID 116832889
1-thiophen-2-ylpropan-1-one
CID 26179

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone (CID 82730250) is (3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone is CCc1cccnc1C(=O)c1cccs1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone?
The InChIKey is YEJGAHFUVMOEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/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)-thiophen-2-ylmethanone?
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone has a molecular weight of 217.29 g/mol, XLogP of 2.94, 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)-thiophen-2-ylmethanone is sourced from PubChem (CID 82730250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).