3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione

C17H13NO5 — CID 101045482

IUPAC3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione
SMILESO=C1OC(C(O)c2cccnc2)C(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C17H13NO5/c19-13(11-7-4-8-18-9-11)16-14(20)12(15(21)17(22)23-16)10-5-2-1-3-6-10/h1-9,13,16,19,21H
InChIKeyLRWNOTIPMZLZJX-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.58
Rot. Bonds3

About 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione

3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione (PubChem CID 101045482) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione
PubChem CID101045482
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione
SMILESO=C1OC(C(O)c2cccnc2)C(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C17H13NO5/c19-13(11-7-4-8-18-9-11)16-14(20)12(15(21)17(22)23-16)10-5-2-1-3-6-10/h1-9,13,16,19,21H
InChIKeyLRWNOTIPMZLZJX-UHFFFAOYSA-N
XLogP1.58
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736549
(S)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736548
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol
CID 143495010
2,2-dipyridin-3-ylethanol
CID 57450821
2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol
CID 14899368
sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;3-ethynylpyridine
CID 175851971
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
3-[phenyl-[(4-phenylphenyl)methoxy]methyl]pyridine
CID 13236918
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
CID 82471434
3-(1-phenoxypropyl)pyridine
CID 57251428

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione?
The IUPAC name of 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione (CID 101045482) is 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione.
What is the SMILES notation for 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione?
The canonical SMILES for 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione is O=C1OC(C(O)c2cccnc2)C(=O)C(c2ccccc2)=C1O.
What is the InChIKey of 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione?
The InChIKey is LRWNOTIPMZLZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c19-13(11-7-4-8-18-9-11)16-14(20)12(15(21)17(22)23-16)10-5-2-1-3-6-10/h1-9,13,16,19,21H.
What are the key properties of 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione?
3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione has a molecular weight of 311.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione is sourced from PubChem (CID 101045482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).