7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid

C16H13FN2O2S — CID 141316517

IUPAC7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2c(-c3ccc(N)cc3F)ccnc12
InChIInChI=1S/C16H13FN2O2S/c1-2-9-13-14(22-15(9)16(20)21)11(5-6-19-13)10-4-3-8(18)7-12(10)17/h3-7H,2,18H2,1H3,(H,20,21)
InChIKeyJNWNBNPNYGDRGG-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.95
Rot. Bonds3

About 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid

7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 141316517) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID141316517
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2c(-c3ccc(N)cc3F)ccnc12
InChIInChI=1S/C16H13FN2O2S/c1-2-9-13-14(22-15(9)16(20)21)11(5-6-19-13)10-4-3-8(18)7-12(10)17/h3-7H,2,18H2,1H3,(H,20,21)
InChIKeyJNWNBNPNYGDRGG-UHFFFAOYSA-N
XLogP3.95
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thieno[2,3-c]pyridine-2-carboxylic acid,4-([1,1'-biphenyl]-4-ylamino)-
CID 25218747
3-(2-Pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
CID 1486480
3-(2-Thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
CID 1486483
Methyl 3-(3-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 5238869
2-[(3-Aminophenyl)-(2-piperidin-1-ylethoxy)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 145985174
Methyl 3-amino-6-[2-(4-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994347
3-Phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
CID 3751878
4-Phenylthieno[2,3-c]pyridine-2-carboxylic acid
CID 49830794
Methyl 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1480204
Methyl 3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1486478
4-(3-Fluorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 49830793
Methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905128

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid (CID 141316517) is 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid is CCc1c(C(=O)O)sc2c(-c3ccc(N)cc3F)ccnc12.
What is the InChIKey of 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is JNWNBNPNYGDRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-2-9-13-14(22-15(9)16(20)21)11(5-6-19-13)10-4-3-8(18)7-12(10)17/h3-7H,2,18H2,1H3,(H,20,21).
What are the key properties of 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid?
7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2-fluorophenyl)-3-ethylthieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 141316517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).