2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride

C13H10Cl3NO4 — CID 70475352

IUPAC2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CNC(c2cccc(Cl)c2Cl)=C(C(=O)O)C1
InChIInChI=1S/C13H9Cl2NO4.ClH/c14-9-3-1-2-7(10(9)15)11-8(13(19)20)4-6(5-16-11)12(17)18;/h1-3,5,16H,4H2,(H,17,18)(H,19,20);1H
InChIKeyYHWNRMLSYSRODA-UHFFFAOYSA-N
MW350.59 g/mol
LogP3.17
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride

2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride (PubChem CID 70475352) has the molecular formula C13H10Cl3NO4 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride
PubChem CID70475352
Molecular FormulaC13H10Cl3NO4
Molecular Weight350.59 g/mol
Exact Mass348.97
IUPAC Name2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CNC(c2cccc(Cl)c2Cl)=C(C(=O)O)C1
InChIInChI=1S/C13H9Cl2NO4.ClH/c14-9-3-1-2-7(10(9)15)11-8(13(19)20)4-6(5-16-11)12(17)18;/h1-3,5,16H,4H2,(H,17,18)(H,19,20);1H
InChIKeyYHWNRMLSYSRODA-UHFFFAOYSA-N
XLogP3.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.59
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride?
The IUPAC name of 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride (CID 70475352) is 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride is Cl.O=C(O)C1=CNC(c2cccc(Cl)c2Cl)=C(C(=O)O)C1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride?
The InChIKey is YHWNRMLSYSRODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4.ClH/c14-9-3-1-2-7(10(9)15)11-8(13(19)20)4-6(5-16-11)12(17)18;/h1-3,5,16H,4H2,(H,17,18)(H,19,20);1H.
What are the key properties of 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride?
2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride has a molecular weight of 350.59 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 70475352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).