5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid

C14H13NO4 — CID 82017868

IUPAC5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cccc(COc2c[nH]c(C(=O)O)cc2=O)c1
InChIInChI=1S/C14H13NO4/c1-9-3-2-4-10(5-9)8-19-13-7-15-11(14(17)18)6-12(13)16/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyUHZXFAHZNFUQRP-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.96
Rot. Bonds4

About 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid

5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 82017868) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID82017868
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cccc(COc2c[nH]c(C(=O)O)cc2=O)c1
InChIInChI=1S/C14H13NO4/c1-9-3-2-4-10(5-9)8-19-13-7-15-11(14(17)18)6-12(13)16/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyUHZXFAHZNFUQRP-UHFFFAOYSA-N
XLogP1.96
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889
5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
CID 161262115
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
2,5-bis(phenylmethoxy)-1H-pyridin-4-one
CID 54191068
ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate
CID 123683336
5-[(3-chlorophenyl)methoxy]-N-cyclopentyl-4-oxo-1H-pyridine-2-carboxamide
CID 91641085
4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one
CID 52903063
N-(3,4-difluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442345

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid (CID 82017868) is 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid is Cc1cccc(COc2c[nH]c(C(=O)O)cc2=O)c1.
What is the InChIKey of 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is UHZXFAHZNFUQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-3-2-4-10(5-9)8-19-13-7-15-11(14(17)18)6-12(13)16/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid?
5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 82017868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).