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

C9H5F2NO2S — CID 155457950

IUPAC7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(C(F)F)c2s1
InChIInChI=1S/C9H5F2NO2S/c10-8(11)4-1-2-12-5-3-6(9(13)14)15-7(4)5/h1-3,8H,(H,13,14)
InChIKeyVXJMKWCGHDUFFE-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.93
Rot. Bonds2

About 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 155457950) has the molecular formula C9H5F2NO2S and a molecular weight of 229.21 g/mol. Its IUPAC name is 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID155457950
Molecular FormulaC9H5F2NO2S
Molecular Weight229.21 g/mol
Exact Mass229.00
IUPAC Name7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(C(F)F)c2s1
InChIInChI=1S/C9H5F2NO2S/c10-8(11)4-1-2-12-5-3-6(9(13)14)15-7(4)5/h1-3,8H,(H,13,14)
InChIKeyVXJMKWCGHDUFFE-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

7-bromothieno[2,3-c]pyridine-2-carboxylic acid
CID 121231814
methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate
CID 59424429
3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 62892069
(7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid
CID 164709872
2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid
CID 165394840
4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 82375963
azetidin-1-yl-(7-phenoxythieno[3,2-b]pyridin-2-yl)methanone
CID 91328834
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 23595107
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 23401168
methyl (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 155458087
2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130094889
1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone
CID 155687705

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (CID 155457950) is 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2nccc(C(F)F)c2s1.
What is the InChIKey of 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is VXJMKWCGHDUFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2S/c10-8(11)4-1-2-12-5-3-6(9(13)14)15-7(4)5/h1-3,8H,(H,13,14).
What are the key properties of 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
7-(difluoromethyl)thieno[3,2-b]pyridine-2-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 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 155457950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).