2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid

C16H11FN2O4S — CID 66861141

IUPAC2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2scc(-c3ccc(F)cc3)c2c1O
InChIInChI=1S/C16H11FN2O4S/c17-9-3-1-8(2-4-9)10-7-24-11-5-18-14(15(22)13(10)11)16(23)19-6-12(20)21/h1-5,7,22H,6H2,(H,19,23)(H,20,21)
InChIKeySFJBEOHCBUXAMX-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.62
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid

2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid (PubChem CID 66861141) has the molecular formula C16H11FN2O4S and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid
PubChem CID66861141
Molecular FormulaC16H11FN2O4S
Molecular Weight346.34 g/mol
Exact Mass346.04
IUPAC Name2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2scc(-c3ccc(F)cc3)c2c1O
InChIInChI=1S/C16H11FN2O4S/c17-9-3-1-8(2-4-9)10-7-24-11-5-18-14(15(22)13(10)11)16(23)19-6-12(20)21/h1-5,7,22H,6H2,(H,19,23)(H,20,21)
InChIKeySFJBEOHCBUXAMX-UHFFFAOYSA-N
XLogP2.62
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid (CID 66861141) is 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc2scc(-c3ccc(F)cc3)c2c1O.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid?
The InChIKey is SFJBEOHCBUXAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4S/c17-9-3-1-8(2-4-9)10-7-24-11-5-18-14(15(22)13(10)11)16(23)19-6-12(20)21/h1-5,7,22H,6H2,(H,19,23)(H,20,21).
What are the key properties of 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid?
2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid has a molecular weight of 346.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 66861141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).