6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid

C15H15NO6 — CID 135210628

IUPAC6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid
SMILESCOC(O)c1ccc(C(=O)O)c(=O)n1OCc1ccccc1
InChIInChI=1S/C15H15NO6/c1-21-15(20)12-8-7-11(14(18)19)13(17)16(12)22-9-10-5-3-2-4-6-10/h2-8,15,20H,9H2,1H3,(H,18,19)
InChIKeyVJLYUEOQGJLGHE-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.81
Rot. Bonds6

About 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid

6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid (PubChem CID 135210628) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid
PubChem CID135210628
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid
SMILESCOC(O)c1ccc(C(=O)O)c(=O)n1OCc1ccccc1
InChIInChI=1S/C15H15NO6/c1-21-15(20)12-8-7-11(14(18)19)13(17)16(12)22-9-10-5-3-2-4-6-10/h2-8,15,20H,9H2,1H3,(H,18,19)
InChIKeyVJLYUEOQGJLGHE-UHFFFAOYSA-N
XLogP0.81
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy(methoxy)methyl]benzoic acid
CID 90208008
1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
CID 82108099
5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid
CID 134307091
methyl 2-(4-oxo-1-phenylmethoxyazet-2-yl)acetate
CID 54559947
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
ethane;4-phenylmethoxyphthalic acid
CID 90802135
1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
CID 82108106
1-phenylmethoxy-3-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)-6-(2-sulfanylidene-1,3-thiazolidine-3-carbothioyl)pyridin-2-one
CID 88864804
4-hydroxy-6-methoxycarbonyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylic acid
CID 68672949
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid?
The IUPAC name of 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid (CID 135210628) is 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid is COC(O)c1ccc(C(=O)O)c(=O)n1OCc1ccccc1.
What is the InChIKey of 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid?
The InChIKey is VJLYUEOQGJLGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-21-15(20)12-8-7-11(14(18)19)13(17)16(12)22-9-10-5-3-2-4-6-10/h2-8,15,20H,9H2,1H3,(H,18,19).
What are the key properties of 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid?
6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 135210628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).