2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid

C16H12N2O5 — CID 163253661

IUPAC2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cc3ccccc3o2)cc1O
InChIInChI=1S/C16H12N2O5/c19-11-5-10(7-17-15(11)16(22)18-8-14(20)21)13-6-9-3-1-2-4-12(9)23-13/h1-7,19H,8H2,(H,18,22)(H,20,21)
InChIKeyRICSAEYPLFUEGY-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.01
Rot. Bonds4

About 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid

2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid (PubChem CID 163253661) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
PubChem CID163253661
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cc3ccccc3o2)cc1O
InChIInChI=1S/C16H12N2O5/c19-11-5-10(7-17-15(11)16(22)18-8-14(20)21)13-6-9-3-1-2-4-12(9)23-13/h1-7,19H,8H2,(H,18,22)(H,20,21)
InChIKeyRICSAEYPLFUEGY-UHFFFAOYSA-N
XLogP2.01
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid (CID 163253661) is 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc(-c2cc3ccccc3o2)cc1O.
What is the InChIKey of 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The InChIKey is RICSAEYPLFUEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c19-11-5-10(7-17-15(11)16(22)18-8-14(20)21)13-6-9-3-1-2-4-12(9)23-13/h1-7,19H,8H2,(H,18,22)(H,20,21).
What are the key properties of 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid has a molecular weight of 312.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-benzofuran-2-yl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 163253661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).