1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid

C16H15NO5 — CID 58067700

IUPAC1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCc3ccccc3O2)cc(O)c1=O
InChIInChI=1S/C16H15NO5/c18-13-9-17(8-12(15(13)19)16(20)21)7-11-6-5-10-3-1-2-4-14(10)22-11/h1-4,8-9,11,18H,5-7H2,(H,20,21)
InChIKeyXRXSDYOOVSMOAK-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.65
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 58067700) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID58067700
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCc3ccccc3O2)cc(O)c1=O
InChIInChI=1S/C16H15NO5/c18-13-9-17(8-12(15(13)19)16(20)21)7-11-6-5-10-3-1-2-4-14(10)22-11/h1-4,8-9,11,18H,5-7H2,(H,20,21)
InChIKeyXRXSDYOOVSMOAK-UHFFFAOYSA-N
XLogP1.65
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 58067704
4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1,2,4-triazole
CID 50965959
[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid
CID 22573238
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
CID 22573243
4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
CID 11220953
5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid
CID 58067801
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
5-hydroxy-4-oxo-1-[[(2S)-1-phenacyloxycarbonylpyrrolidin-2-yl]methyl]pyridine-3-carboxylic acid
CID 58067632
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 58067700) is 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CC2CCc3ccccc3O2)cc(O)c1=O.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is XRXSDYOOVSMOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c18-13-9-17(8-12(15(13)19)16(20)21)7-11-6-5-10-3-1-2-4-14(10)22-11/h1-4,8-9,11,18H,5-7H2,(H,20,21).
What are the key properties of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).