5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid

C14H11NO5 — CID 88863108

IUPAC5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
SMILESO=Cc1c[nH]c(C(=O)O)c(OCc2ccccc2)c1=O
InChIInChI=1S/C14H11NO5/c16-7-10-6-15-11(14(18)19)13(12(10)17)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,18,19)
InChIKeyWENKURUTLYERCI-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.46
Rot. Bonds5

About 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid

5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid (PubChem CID 88863108) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
PubChem CID88863108
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
SMILESO=Cc1c[nH]c(C(=O)O)c(OCc2ccccc2)c1=O
InChIInChI=1S/C14H11NO5/c16-7-10-6-15-11(14(18)19)13(12(10)17)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,18,19)
InChIKeyWENKURUTLYERCI-UHFFFAOYSA-N
XLogP1.46
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
CID 6334341
CID 6334341
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
CID 145314511
2-bromo-3-hydroxy-4,5-bis(phenylmethoxy)benzaldehyde
CID 73058387
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one
CID 159607116
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
CID 170399941

Frequently Asked Questions

What is the IUPAC name of 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid (CID 88863108) is 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid is O=Cc1c[nH]c(C(=O)O)c(OCc2ccccc2)c1=O.
What is the InChIKey of 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The InChIKey is WENKURUTLYERCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c16-7-10-6-15-11(14(18)19)13(12(10)17)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,18,19).
What are the key properties of 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid?
5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid has a molecular weight of 273.24 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 88863108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).