6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid

C12H12F2N2O2S — CID 165019511

IUPAC6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)nc2sc(C(=O)O)c(N(C)C)c12
InChIInChI=1S/C12H12F2N2O2S/c1-5-4-6(10(13)14)15-11-7(5)8(16(2)3)9(19-11)12(17)18/h4,10H,1-3H3,(H,17,18)
InChIKeyKYGHBTMSXPDKJD-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.31
Rot. Bonds3

About 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid

6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 165019511) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID165019511
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC Name6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)nc2sc(C(=O)O)c(N(C)C)c12
InChIInChI=1S/C12H12F2N2O2S/c1-5-4-6(10(13)14)15-11-7(5)8(16(2)3)9(19-11)12(17)18/h4,10H,1-3H3,(H,17,18)
InChIKeyKYGHBTMSXPDKJD-UHFFFAOYSA-N
XLogP3.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid with MolForge

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Related Compounds

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 676133
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-Amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 3255800
3-Amino-4-(4-fluorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 1215283
3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
3-Methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 3822447
1-Amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
CID 916305
1-Amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
CID 3820380
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
Ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 691782
Methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 613092

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid (CID 165019511) is 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1cc(C(F)F)nc2sc(C(=O)O)c(N(C)C)c12.
What is the InChIKey of 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is KYGHBTMSXPDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c1-5-4-6(10(13)14)15-11-7(5)8(16(2)3)9(19-11)12(17)18/h4,10H,1-3H3,(H,17,18).
What are the key properties of 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid?
6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 286.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-(dimethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 165019511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).