(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate

C14H13NO4 — CID 47143064

IUPAC(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate
SMILESCOc1ccc(COC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C14H13NO4/c1-18-12-5-2-10(3-6-12)9-19-14(17)11-4-7-13(16)15-8-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyQRWWEZONFHSWHC-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.74
Rot. Bonds4

About (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate

(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate (PubChem CID 47143064) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate
PubChem CID47143064
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate
SMILESCOc1ccc(COC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C14H13NO4/c1-18-12-5-2-10(3-6-12)9-19-14(17)11-4-7-13(16)15-8-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyQRWWEZONFHSWHC-UHFFFAOYSA-N
XLogP1.74
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
sodium ethyl 6-oxo-1H-pyridine-3-carboxylate
CID 54606839
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
octyl 6-oxo-1H-pyridine-3-carboxylate
CID 139746456
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
benzyl 4-[4-(4-methoxyphenyl)butanoyl]benzoate
CID 166440320

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate (CID 47143064) is (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate is COc1ccc(COC(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QRWWEZONFHSWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-12-5-2-10(3-6-12)9-19-14(17)11-4-7-13(16)15-8-11/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate?
(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 47143064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).