2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid

C9H5F2NO2S — CID 84692457

IUPAC2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sc(C(F)F)cc2c1
InChIInChI=1S/C9H5F2NO2S/c10-7(11)6-2-4-1-5(9(13)14)3-12-8(4)15-6/h1-3,7H,(H,13,14)
InChIKeyPDNYGNCPLFSHJN-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.93
Rot. Bonds2

About 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid

2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 84692457) has the molecular formula C9H5F2NO2S and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID84692457
Molecular FormulaC9H5F2NO2S
Molecular Weight229.21 g/mol
Exact Mass229.00
IUPAC Name2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sc(C(F)F)cc2c1
InChIInChI=1S/C9H5F2NO2S/c10-7(11)6-2-4-1-5(9(13)14)3-12-8(4)15-6/h1-3,7H,(H,13,14)
InChIKeyPDNYGNCPLFSHJN-UHFFFAOYSA-N
XLogP2.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromothieno[2,3-b]pyridine-5-carboxylic acid
CID 82665417
2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
CID 84709626
6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 118826261
6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118838293
[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid
CID 84651760
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302
6-hydroxyquinoline-3-carboxylic acid
CID 58902455
6,7-dihydroxyquinoline-3-carboxylic acid
CID 135795174
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
CID 129247771
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid (CID 84692457) is 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2sc(C(F)F)cc2c1.
What is the InChIKey of 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is PDNYGNCPLFSHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2S/c10-7(11)6-2-4-1-5(9(13)14)3-12-8(4)15-6/h1-3,7H,(H,13,14).
What are the key properties of 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid?
2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 229.21 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 84692457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).