2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid

C16H11FN2O4S — CID 66861909

IUPAC2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2cc(-c3ccc(F)cc3)sc2c1O
InChIInChI=1S/C16H11FN2O4S/c17-10-3-1-8(2-4-10)11-5-9-6-18-13(14(22)15(9)24-11)16(23)19-7-12(20)21/h1-6,22H,7H2,(H,19,23)(H,20,21)
InChIKeyZXMLLAHFMMRTBR-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.62
Rot. Bonds4

About 2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid

2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 66861909) has the molecular formula C16H11FN2O4S and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
PubChem CID66861909
Molecular FormulaC16H11FN2O4S
Molecular Weight346.34 g/mol
Exact Mass346.04
IUPAC Name2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2cc(-c3ccc(F)cc3)sc2c1O
InChIInChI=1S/C16H11FN2O4S/c17-10-3-1-8(2-4-10)11-5-9-6-18-13(14(22)15(9)24-11)16(23)19-7-12(20)21/h1-6,22H,7H2,(H,19,23)(H,20,21)
InChIKeyZXMLLAHFMMRTBR-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-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (CID 66861909) is 2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc2cc(-c3ccc(F)cc3)sc2c1O.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is ZXMLLAHFMMRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4S/c17-10-3-1-8(2-4-10)11-5-9-6-18-13(14(22)15(9)24-11)16(23)19-7-12(20)21/h1-6,22H,7H2,(H,19,23)(H,20,21).
What are the key properties of 2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
2-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-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-[[2-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 66861909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).