6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid

C19H18ClNO7 — CID 14271881

IUPAC6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1c(COCC(=O)O)nc(C)c(C(=O)O)c1-c1ccccc1Cl
InChIInChI=1S/C19H18ClNO7/c1-3-28-19(26)17-13(8-27-9-14(22)23)21-10(2)15(18(24)25)16(17)11-6-4-5-7-12(11)20/h4-7H,3,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyVVDGGHHEZWWWER-UHFFFAOYSA-N
MW407.81 g/mol
LogP3.19
Rot. Bonds8

About 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid

6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid (PubChem CID 14271881) has the molecular formula C19H18ClNO7 and a molecular weight of 407.81 g/mol. Its IUPAC name is 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid
PubChem CID14271881
Molecular FormulaC19H18ClNO7
Molecular Weight407.81 g/mol
Exact Mass407.08
IUPAC Name6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1c(COCC(=O)O)nc(C)c(C(=O)O)c1-c1ccccc1Cl
InChIInChI=1S/C19H18ClNO7/c1-3-28-19(26)17-13(8-27-9-14(22)23)21-10(2)15(18(24)25)16(17)11-6-4-5-7-12(11)20/h4-7H,3,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyVVDGGHHEZWWWER-UHFFFAOYSA-N
XLogP3.19
TPSA123.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Dehydrofelodipine
CID 62970
3-Ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate
CID 14271877
2-((4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-pyridyl)methoxy)acetic acid
CID 14271878
2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid, 3-ethyl ester
CID 14271885
2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium
CID 1478
Dipropyl 2-(3-chlorophenyl)-4,6-diethylpyridine-3,5-dicarboxylate
CID 44413098
4-(2-Chlorophenyl)-2-(hydroxymethyl)-6-methyl-3,5-pyridinedicarboxylic acid 5-methyl ester
CID 14271893
Amlodipine metabolite M10
CID 169501867
5-Ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
CID 10853649
1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(5H)-dione, 8-(2-chlorophenyl)-
CID 3078178
1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(5H)-dione, 8-(3-chlorophenyl)-
CID 3078179
1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(5H)-dione, 8-(4-chlorophenyl)-
CID 3078180

Frequently Asked Questions

What is the IUPAC name of 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid (CID 14271881) is 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid is CCOC(=O)c1c(COCC(=O)O)nc(C)c(C(=O)O)c1-c1ccccc1Cl.
What is the InChIKey of 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid?
The InChIKey is VVDGGHHEZWWWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO7/c1-3-28-19(26)17-13(8-27-9-14(22)23)21-10(2)15(18(24)25)16(17)11-6-4-5-7-12(11)20/h4-7H,3,8-9H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid?
6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid has a molecular weight of 407.81 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 14271881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).