6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid

C22H19NO6 — CID 67834275

IUPAC6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OC)cc(C(=O)O)n1
InChIInChI=1S/C22H19NO6/c1-27-20-12-16(29-13-14-6-4-3-5-7-14)8-9-17(20)15-10-18(21(24)25)23-19(11-15)22(26)28-2/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeySREFWHXWSNSDNL-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.82
Rot. Bonds7

About 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid

6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 67834275) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
PubChem CID67834275
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Name6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OC)cc(C(=O)O)n1
InChIInChI=1S/C22H19NO6/c1-27-20-12-16(29-13-14-6-4-3-5-7-14)8-9-17(20)15-10-18(21(24)25)23-19(11-15)22(26)28-2/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeySREFWHXWSNSDNL-UHFFFAOYSA-N
XLogP3.82
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
methyl 2-(4-bromobutoxy)-4-phenylmethoxybenzoate
CID 54541902
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
CID 123516675
CID 123516675
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710

Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid (CID 67834275) is 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid is COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OC)cc(C(=O)O)n1.
What is the InChIKey of 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is SREFWHXWSNSDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-27-20-12-16(29-13-14-6-4-3-5-7-14)8-9-17(20)15-10-18(21(24)25)23-19(11-15)22(26)28-2/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 393.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 67834275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).