2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid

C16H13NO6 — CID 54733655

IUPAC2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid
SMILESCc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1CC(=O)O
InChIInChI=1S/C16H13NO6/c1-8-6-11(18)13(15(21)17(8)7-12(19)20)14-9-4-2-3-5-10(9)16(22)23-14/h2-6,14,18H,7H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyBWXHLQHGSLZQTO-AWEZNQCLSA-N
MW315.28 g/mol
LogP1.21
Rot. Bonds3

About 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid

2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid (PubChem CID 54733655) has the molecular formula C16H13NO6 and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid
PubChem CID54733655
Molecular FormulaC16H13NO6
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid
SMILESCc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1CC(=O)O
InChIInChI=1S/C16H13NO6/c1-8-6-11(18)13(15(21)17(8)7-12(19)20)14-9-4-2-3-5-10(9)16(22)23-14/h2-6,14,18H,7H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyBWXHLQHGSLZQTO-AWEZNQCLSA-N
XLogP1.21
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 54742081
3-(2,6-dihydroxy-4-propan-2-ylphenyl)-3H-2-benzofuran-1-one
CID 71813885
3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one
CID 71442115
2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid
CID 121493856
3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54720974
3-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 102533829
2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid
CID 97488576
1-(3,5-dimethylphenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)pyrimidine-2,4-dione
CID 132795055
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione
CID 40901308
1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 40916141
2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid
CID 155486643

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid (CID 54733655) is 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid is Cc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid?
The InChIKey is BWXHLQHGSLZQTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13NO6/c1-8-6-11(18)13(15(21)17(8)7-12(19)20)14-9-4-2-3-5-10(9)16(22)23-14/h2-6,14,18H,7H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid?
2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid has a molecular weight of 315.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid is sourced from PubChem (CID 54733655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).