2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one

C10H10BrNOS — CID 176902477

IUPAC2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCC(C)c1c[nH]c(=O)c2cc(Br)sc12
InChIInChI=1S/C10H10BrNOS/c1-5(2)7-4-12-10(13)6-3-8(11)14-9(6)7/h3-5H,1-2H3,(H,12,13)
InChIKeyDVLBWGZLSREFHF-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.48
Rot. Bonds1

About 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one

2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 176902477) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID176902477
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCC(C)c1c[nH]c(=O)c2cc(Br)sc12
InChIInChI=1S/C10H10BrNOS/c1-5(2)7-4-12-10(13)6-3-8(11)14-9(6)7/h3-5H,1-2H3,(H,12,13)
InChIKeyDVLBWGZLSREFHF-UHFFFAOYSA-N
XLogP3.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one (CID 176902477) is 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one is CC(C)c1c[nH]c(=O)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is DVLBWGZLSREFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-5(2)7-4-12-10(13)6-3-8(11)14-9(6)7/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one?
2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 272.17 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 176902477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).