3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid

C16H7F4NO3S — CID 163367114

IUPAC3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESCC(=O)c1c(C(=O)O)sc2c(-c3cc(F)cc(F)c3F)c(F)cnc12
InChIInChI=1S/C16H7F4NO3S/c1-5(22)10-13-14(25-15(10)16(23)24)11(9(19)4-21-13)7-2-6(17)3-8(18)12(7)20/h2-4H,1H3,(H,23,24)
InChIKeyDCIIHFVONFWMQW-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.42
Rot. Bonds3

About 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid

3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 163367114) has the molecular formula C16H7F4NO3S and a molecular weight of 369.30 g/mol. Its IUPAC name is 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID163367114
Molecular FormulaC16H7F4NO3S
Molecular Weight369.30 g/mol
Exact Mass369.01
IUPAC Name3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESCC(=O)c1c(C(=O)O)sc2c(-c3cc(F)cc(F)c3F)c(F)cnc12
InChIInChI=1S/C16H7F4NO3S/c1-5(22)10-13-14(25-15(10)16(23)24)11(9(19)4-21-13)7-2-6(17)3-8(18)12(7)20/h2-4H,1H3,(H,23,24)
InChIKeyDCIIHFVONFWMQW-UHFFFAOYSA-N
XLogP4.42
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethyl-2,4,5-trifluorophenyl)-6-fluorothieno[3,2-b]pyridine-2-carboxylic acid
CID 177182334
7-fluoro-4-(3-hydroxycyclobutyl)-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylic acid
CID 167506437
3-[3-(difluoromethoxy)-2,4,5-trifluorophenyl]-6-fluorothieno[3,2-b]pyridine-2-carboxylic acid
CID 177182328
ethyl 4-(dimethylamino)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881974
6-fluoro-3-(2,3,5,6-tetrafluorophenyl)-1-benzothiophene-2-carboxylic acid
CID 168780834
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302
4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920330
4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920327
2,4-difluoro-6-trimethylsilyloxybenzoic acid
CID 167731600
6-chloro-3-(2-chloro-3,5-difluorophenyl)-1-benzothiophene-2-carboxylic acid
CID 168780888
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
CID 62652802
5-acetyl-2-(3,4,5-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 106697529

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid (CID 163367114) is 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid is CC(=O)c1c(C(=O)O)sc2c(-c3cc(F)cc(F)c3F)c(F)cnc12.
What is the InChIKey of 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is DCIIHFVONFWMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F4NO3S/c1-5(22)10-13-14(25-15(10)16(23)24)11(9(19)4-21-13)7-2-6(17)3-8(18)12(7)20/h2-4H,1H3,(H,23,24).
What are the key properties of 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid?
3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 369.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-fluoro-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 163367114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).