4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid

C17H19NO5 — CID 22299165

IUPAC4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
SMILESCOc1ccccc1C1C(C(=O)O)=C(C)N(C)C(C)=C1C(=O)O
InChIInChI=1S/C17H19NO5/c1-9-13(16(19)20)15(11-7-5-6-8-12(11)23-4)14(17(21)22)10(2)18(9)3/h5-8,15H,1-4H3,(H,19,20)(H,21,22)
InChIKeyOHXZKSFQSGBPBX-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.44
Rot. Bonds4

About 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid

4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid (PubChem CID 22299165) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
PubChem CID22299165
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
SMILESCOc1ccccc1C1C(C(=O)O)=C(C)N(C)C(C)=C1C(=O)O
InChIInChI=1S/C17H19NO5/c1-9-13(16(19)20)15(11-7-5-6-8-12(11)23-4)14(17(21)22)10(2)18(9)3/h5-8,15H,1-4H3,(H,19,20)(H,21,22)
InChIKeyOHXZKSFQSGBPBX-UHFFFAOYSA-N
XLogP2.44
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,6-trimethyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-4H-pyridine-3,5-dicarboxylic acid
CID 67896338
ethyl 6-(2-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864928
4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-5-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4H-pyridine-3-carboxylic acid
CID 88708527
2-phenoxyethyl (6S)-6-(2-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2170381
diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 20561406
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
6-(2,3-dimethoxyphenyl)-3,4-dimethyl-2-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 3101103
diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 23826620
diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate
CID 15170358
ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162395
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
4-(2-butoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 173370763

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid (CID 22299165) is 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid is COc1ccccc1C1C(C(=O)O)=C(C)N(C)C(C)=C1C(=O)O.
What is the InChIKey of 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The InChIKey is OHXZKSFQSGBPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-9-13(16(19)20)15(11-7-5-6-8-12(11)23-4)14(17(21)22)10(2)18(9)3/h5-8,15H,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 22299165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).