(2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C12H10BrNO2S — CID 106852353

IUPAC(2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccoc1Br)N1CCc2sccc2C1
InChIInChI=1S/C12H10BrNO2S/c13-11-9(2-5-16-11)12(15)14-4-1-10-8(7-14)3-6-17-10/h2-3,5-6H,1,4,7H2
InChIKeyPVOCHMGYLFCPFZ-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.30
Rot. Bonds1

About (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 106852353) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID106852353
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name(2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccoc1Br)N1CCc2sccc2C1
InChIInChI=1S/C12H10BrNO2S/c13-11-9(2-5-16-11)12(15)14-4-1-10-8(7-14)3-6-17-10/h2-3,5-6H,1,4,7H2
InChIKeyPVOCHMGYLFCPFZ-UHFFFAOYSA-N
XLogP3.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

1-(2-bromofuran-3-carbonyl)piperidin-3-one
CID 106852248
(2,5-dichlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24778011
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
(5-amino-2-bromo-4-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62831070
(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470295
(2-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62648438
(2-amino-4-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16773852
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30454724
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(isoquinolin-1-yl)methanone
CID 47084025
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105384386

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 106852353) is (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1ccoc1Br)N1CCc2sccc2C1.
What is the InChIKey of (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is PVOCHMGYLFCPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c13-11-9(2-5-16-11)12(15)14-4-1-10-8(7-14)3-6-17-10/h2-3,5-6H,1,4,7H2.
What are the key properties of (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 312.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 106852353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).