2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid

C9H6BrNO3S — CID 129219588

IUPAC2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)Cn1ccc2scc(Br)c2c1=O
InChIInChI=1S/C9H6BrNO3S/c10-5-4-15-6-1-2-11(3-7(12)13)9(14)8(5)6/h1-2,4H,3H2,(H,12,13)
InChIKeyRFFJKVXASFNTSJ-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.91
Rot. Bonds2

About 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid

2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid (PubChem CID 129219588) has the molecular formula C9H6BrNO3S and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid
PubChem CID129219588
Molecular FormulaC9H6BrNO3S
Molecular Weight288.12 g/mol
Exact Mass286.93
IUPAC Name2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)Cn1ccc2scc(Br)c2c1=O
InChIInChI=1S/C9H6BrNO3S/c10-5-4-15-6-1-2-11(3-7(12)13)9(14)8(5)6/h1-2,4H,3H2,(H,12,13)
InChIKeyRFFJKVXASFNTSJ-UHFFFAOYSA-N
XLogP1.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid (CID 129219588) is 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid is O=C(O)Cn1ccc2scc(Br)c2c1=O.
What is the InChIKey of 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid?
The InChIKey is RFFJKVXASFNTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO3S/c10-5-4-15-6-1-2-11(3-7(12)13)9(14)8(5)6/h1-2,4H,3H2,(H,12,13).
What are the key properties of 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid?
2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid has a molecular weight of 288.12 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetic acid is sourced from PubChem (CID 129219588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).