4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid

C15H10FNO3S — CID 10614368

IUPAC4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid
SMILESCn1c(C(=O)O)c(-c2ccc(F)cc2)c2ccsc2c1=O
InChIInChI=1S/C15H10FNO3S/c1-17-12(15(19)20)11(8-2-4-9(16)5-3-8)10-6-7-21-13(10)14(17)18/h2-7H,1H3,(H,19,20)
InChIKeyCKHZCKCWZGYOPP-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.10
Rot. Bonds2

About 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid

4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid (PubChem CID 10614368) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid
PubChem CID10614368
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid
SMILESCn1c(C(=O)O)c(-c2ccc(F)cc2)c2ccsc2c1=O
InChIInChI=1S/C15H10FNO3S/c1-17-12(15(19)20)11(8-2-4-9(16)5-3-8)10-6-7-21-13(10)14(17)18/h2-7H,1H3,(H,19,20)
InChIKeyCKHZCKCWZGYOPP-UHFFFAOYSA-N
XLogP3.10
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzoylamino-3-(5-phenyl-thiophen-2-yl)-acrylic acid
CID 6480675
2-Benzoylamino-3-[5-(2-fluoro-phenyl)-thiophen-2-yl]-acrylic acid
CID 6480680
Ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate
CID 10496713
7-(4-Fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylic acid
CID 10518523
7-(4-Fluoro-phenyl)-5-methyl-4-oxo-4,5-dihydro-thieno[3,4-C]pyridine-6-carboxylic acid
CID 10638142
Ethyl 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylate
CID 10687943
Ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate
CID 10758881
(E)-3-[2-fluoro-4-[4-[[methyl(nonanoyl)amino]methyl]thiophen-2-yl]phenyl]prop-2-enoic acid
CID 11495722
4,5-dihydro-7-oxo-8-(m-fluorophenyl)-7H-thieno[2,3-a]quinolizine-10-carboxylic acid
CID 19020416
(E)-2-benzamido-3-[5-(2,3-difluorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 22148059
(E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 22148198
(E)-2-benzamido-3-[5-(2,5-difluorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 22148293

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid (CID 10614368) is 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid is Cn1c(C(=O)O)c(-c2ccc(F)cc2)c2ccsc2c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is CKHZCKCWZGYOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c1-17-12(15(19)20)11(8-2-4-9(16)5-3-8)10-6-7-21-13(10)14(17)18/h2-7H,1H3,(H,19,20).
What are the key properties of 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid?
4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 10614368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).