1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate

C15H14NO3- — CID 22159895

IUPAC1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate
SMILESCc1c(C)n(C)c(-c2ccccc2)c(C(=O)[O-])c1=O
InChIInChI=1S/C15H15NO3/c1-9-10(2)16(3)13(11-7-5-4-6-8-11)12(14(9)17)15(18)19/h4-8H,1-3H3,(H,18,19)/p-1
InChIKeyUAXGPVSMXJFCBQ-UHFFFAOYSA-M
MW256.28 g/mol
LogP1.03
Rot. Bonds2

About 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate

1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate (PubChem CID 22159895) has the molecular formula C15H14NO3- and a molecular weight of 256.28 g/mol. Its IUPAC name is 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate
PubChem CID22159895
Molecular FormulaC15H14NO3-
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate
SMILESCc1c(C)n(C)c(-c2ccccc2)c(C(=O)[O-])c1=O
InChIInChI=1S/C15H15NO3/c1-9-10(2)16(3)13(11-7-5-4-6-8-11)12(14(9)17)15(18)19/h4-8H,1-3H3,(H,18,19)/p-1
InChIKeyUAXGPVSMXJFCBQ-UHFFFAOYSA-M
XLogP1.03
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid
CID 67319956
methyl 4-chloro-1,2-dimethyl-5-phenylpyrrole-3-carboxylate
CID 91672505
1-(1,2-dimethyl-4-nitro-5-phenylpyrrol-3-yl)ethanone
CID 14616642
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one
CID 54687627
sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate
CID 23705012
3-benzoyl-5,6-dibromo-1,2-dimethylindole-4,7-dione
CID 142666976
ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273
bis(1,1'-biphenyl);carbonate
CID 23514328

Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate?
The IUPAC name of 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate (CID 22159895) is 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate?
The canonical SMILES for 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate is Cc1c(C)n(C)c(-c2ccccc2)c(C(=O)[O-])c1=O.
What is the InChIKey of 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate?
The InChIKey is UAXGPVSMXJFCBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO3/c1-9-10(2)16(3)13(11-7-5-4-6-8-11)12(14(9)17)15(18)19/h4-8H,1-3H3,(H,18,19)/p-1.
What are the key properties of 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate?
1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate has a molecular weight of 256.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 22159895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).