4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid

C17H17Cl2NO4 — CID 68625844

IUPAC4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(C)(c2cccc(Cl)c2Cl)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C17H17Cl2NO4/c1-8-12(15(21)22)17(3,10-6-5-7-11(18)14(10)19)13(16(23)24)9(2)20(8)4/h5-7H,1-4H3,(H,21,22)(H,23,24)
InChIKeyZMSHJQBSFPFREN-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.91
Rot. Bonds3

About 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid

4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid (PubChem CID 68625844) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid
PubChem CID68625844
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC Name4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(C)(c2cccc(Cl)c2Cl)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C17H17Cl2NO4/c1-8-12(15(21)22)17(3,10-6-5-7-11(18)14(10)19)13(16(23)24)9(2)20(8)4/h5-7H,1-4H3,(H,21,22)(H,23,24)
InChIKeyZMSHJQBSFPFREN-UHFFFAOYSA-N
XLogP3.91
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid (CID 68625844) is 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(C)(c2cccc(Cl)c2Cl)C(C(=O)O)=C(C)N1C.
What is the InChIKey of 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid?
The InChIKey is ZMSHJQBSFPFREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c1-8-12(15(21)22)17(3,10-6-5-7-11(18)14(10)19)13(16(23)24)9(2)20(8)4/h5-7H,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid?
4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid has a molecular weight of 370.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 68625844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).