2-thieno[3,4-c]pyridin-4-ylacetic acid

C9H7NO2S — CID 82402110

IUPAC2-thieno[3,4-c]pyridin-4-ylacetic acid
SMILESO=C(O)Cc1nccc2cscc12
InChIInChI=1S/C9H7NO2S/c11-9(12)3-8-7-5-13-4-6(7)1-2-10-8/h1-2,4-5H,3H2,(H,11,12)
InChIKeyQHVBIZMBKYJGSQ-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.92
Rot. Bonds2

About 2-thieno[3,4-c]pyridin-4-ylacetic acid

2-thieno[3,4-c]pyridin-4-ylacetic acid (PubChem CID 82402110) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-thieno[3,4-c]pyridin-4-ylacetic acid.

Molecular Properties

Compound Name2-thieno[3,4-c]pyridin-4-ylacetic acid
PubChem CID82402110
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name2-thieno[3,4-c]pyridin-4-ylacetic acid
SMILESO=C(O)Cc1nccc2cscc12
InChIInChI=1S/C9H7NO2S/c11-9(12)3-8-7-5-13-4-6(7)1-2-10-8/h1-2,4-5H,3H2,(H,11,12)
InChIKeyQHVBIZMBKYJGSQ-UHFFFAOYSA-N
XLogP1.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazolo[5,4-c]pyridin-7-yl)acetic acid
CID 82410622
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-(3-methyl-2H-pyrrolo[3,4-c]pyridin-4-yl)acetic acid
CID 82404170
2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
CID 76850504
2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118823447
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
2-(3-amino-4-bromo-2-pyridinyl)acetic acid
CID 131117087
2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid
CID 82490189
2-(3-sulfanyl-2-pyridinyl)acetic acid
CID 91518521
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
CID 82403023
2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131498013

Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,4-c]pyridin-4-ylacetic acid?
The IUPAC name of 2-thieno[3,4-c]pyridin-4-ylacetic acid (CID 82402110) is 2-thieno[3,4-c]pyridin-4-ylacetic acid.
What is the SMILES notation for 2-thieno[3,4-c]pyridin-4-ylacetic acid?
The canonical SMILES for 2-thieno[3,4-c]pyridin-4-ylacetic acid is O=C(O)Cc1nccc2cscc12.
What is the InChIKey of 2-thieno[3,4-c]pyridin-4-ylacetic acid?
The InChIKey is QHVBIZMBKYJGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-9(12)3-8-7-5-13-4-6(7)1-2-10-8/h1-2,4-5H,3H2,(H,11,12).
What are the key properties of 2-thieno[3,4-c]pyridin-4-ylacetic acid?
2-thieno[3,4-c]pyridin-4-ylacetic acid has a molecular weight of 193.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,4-c]pyridin-4-ylacetic acid is sourced from PubChem (CID 82402110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).