2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid

C19H14FNO4S — CID 58337804

IUPAC2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2csc(CC(=O)c3cccc(F)c3)c2C(=O)O)cn1
InChIInChI=1S/C19H14FNO4S/c1-25-17-6-5-12(9-21-17)14-10-26-16(18(14)19(23)24)8-15(22)11-3-2-4-13(20)7-11/h2-7,9-10H,8H2,1H3,(H,23,24)
InChIKeyZUVZORQNFQARRC-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.08
Rot. Bonds6

About 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid

2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid (PubChem CID 58337804) has the molecular formula C19H14FNO4S and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid
PubChem CID58337804
Molecular FormulaC19H14FNO4S
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Name2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2csc(CC(=O)c3cccc(F)c3)c2C(=O)O)cn1
InChIInChI=1S/C19H14FNO4S/c1-25-17-6-5-12(9-21-17)14-10-26-16(18(14)19(23)24)8-15(22)11-3-2-4-13(20)7-11/h2-7,9-10H,8H2,1H3,(H,23,24)
InChIKeyZUVZORQNFQARRC-UHFFFAOYSA-N
XLogP4.08
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid (CID 58337804) is 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid is COc1ccc(-c2csc(CC(=O)c3cccc(F)c3)c2C(=O)O)cn1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid?
The InChIKey is ZUVZORQNFQARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4S/c1-25-17-6-5-12(9-21-17)14-10-26-16(18(14)19(23)24)8-15(22)11-3-2-4-13(20)7-11/h2-7,9-10H,8H2,1H3,(H,23,24).
What are the key properties of 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid?
2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 58337804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).