4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid

C15H15NO5 — CID 57162463

IUPAC4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=NC(C)=C(C(=O)O)C(c2cccc(O)c2)C1C(=O)O
InChIInChI=1S/C15H15NO5/c1-7-11(14(18)19)13(9-4-3-5-10(17)6-9)12(15(20)21)8(2)16-7/h3-6,11,13,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOPSZTMARTHHOCB-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.01
Rot. Bonds3

About 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid

4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 57162463) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid
PubChem CID57162463
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=NC(C)=C(C(=O)O)C(c2cccc(O)c2)C1C(=O)O
InChIInChI=1S/C15H15NO5/c1-7-11(14(18)19)13(9-4-3-5-10(17)6-9)12(15(20)21)8(2)16-7/h3-6,11,13,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOPSZTMARTHHOCB-UHFFFAOYSA-N
XLogP2.01
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid (CID 57162463) is 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid is CC1=NC(C)=C(C(=O)O)C(c2cccc(O)c2)C1C(=O)O.
What is the InChIKey of 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is OPSZTMARTHHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-7-11(14(18)19)13(9-4-3-5-10(17)6-9)12(15(20)21)8(2)16-7/h3-6,11,13,17H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid?
4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 57162463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).