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

C16H16ClNO4 — CID 21411664

IUPAC4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C16H16ClNO4/c1-8-12(15(19)20)14(10-6-4-5-7-11(10)17)13(16(21)22)9(2)18(8)3/h4-7,14H,1-3H3,(H,19,20)(H,21,22)
InChIKeySTKDTEXAFQDQQA-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.09
Rot. Bonds3

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

4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid (PubChem CID 21411664) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
PubChem CID21411664
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C16H16ClNO4/c1-8-12(15(19)20)14(10-6-4-5-7-11(10)17)13(16(21)22)9(2)18(8)3/h4-7,14H,1-3H3,(H,19,20)(H,21,22)
InChIKeySTKDTEXAFQDQQA-UHFFFAOYSA-N
XLogP3.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 737062
Diethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 285821
Dimethyl 4-(4-chlorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 625873
3,5-Bis(prop-2-en-1-yl) 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3139745
diethyl 4-(4-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
CID 325406
Dimethyl 4-(2-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 610962
4-(2-Chlorophenyl)-1-ethyl-5-(isopropoxycarbonyl)-6-methyl-1,4-dihydropyridine-2,3-dicarboxylic acid
CID 10477826
Dimethyl 4-(2-chlorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 742887
Bay R3401
CID 9842599
Desmethyl amolodipine
CID 14271883
4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-ethyl)-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester
CID 44342362
Dimethyl 4-(2,3-dichlorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1364940

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid (CID 21411664) is 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)O)=C(C)N1C.
What is the InChIKey of 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The InChIKey is STKDTEXAFQDQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-8-12(15(19)20)14(10-6-4-5-7-11(10)17)13(16(21)22)9(2)18(8)3/h4-7,14H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid has a molecular weight of 321.76 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 21411664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).