4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C15H12ClNO4-2 — CID 22250345

IUPAC4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)[O-])C(c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1
InChIInChI=1S/C15H14ClNO4/c1-7-11(14(18)19)13(9-4-3-5-10(16)6-9)12(15(20)21)8(2)17-7/h3-6,13,17H,1-2H3,(H,18,19)(H,20,21)/p-2
InChIKeyWAUSHBWWZDZUJK-UHFFFAOYSA-L
MW305.72 g/mol
LogP0.07
Rot. Bonds3

About 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 22250345) has the molecular formula C15H12ClNO4-2 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID22250345
Molecular FormulaC15H12ClNO4-2
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)[O-])C(c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1
InChIInChI=1S/C15H14ClNO4/c1-7-11(14(18)19)13(9-4-3-5-10(16)6-9)12(15(20)21)8(2)17-7/h3-6,13,17H,1-2H3,(H,18,19)(H,20,21)/p-2
InChIKeyWAUSHBWWZDZUJK-UHFFFAOYSA-L
XLogP0.07
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid
CID 18318293
4-(3-chlorophenyl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid
CID 19856729
3-O-ethyl 5-O-(2-hydroxyethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 19734465
3-O-ethyl 5-O-prop-2-enyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3042518
5-benzhydryloxycarbonyl-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 58913030
4-(3-chlorophenyl)-2,6-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-1,4-dihydropyridine-3-carboxylic acid
CID 18318320
5-(dihydroxyamino)-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 163121944
4-(3-chlorophenyl)-2,6-dimethyl-5-(3-phenylprop-2-ynoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
CID 22949265
4-(3-chlorophenyl)-5-[(2-ethenylphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 174433478
4-(3-chlorophenyl)-2-methyl-6-(4-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid
CID 44543790
propan-2-yl 4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854514
1-[4-(3-chlorophenyl)-5-(iminomethylidene)-2-methyl-6-sulfanylidene-1,4-dihydropyridin-3-yl]ethanone
CID 176518063

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 22250345) is 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is CC1=C(C(=O)[O-])C(c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1.
What is the InChIKey of 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is WAUSHBWWZDZUJK-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H14ClNO4/c1-7-11(14(18)19)13(9-4-3-5-10(16)6-9)12(15(20)21)8(2)17-7/h3-6,13,17H,1-2H3,(H,18,19)(H,20,21)/p-2.
What are the key properties of 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 305.72 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 22250345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).