6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid

C18H19NO6 — CID 175431890

IUPAC6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid
SMILESCCCCc1nc(-c2ccc(OC)cc2)c(C(=O)O)c(C(=O)O)c1O
InChIInChI=1S/C18H19NO6/c1-3-4-5-12-16(20)14(18(23)24)13(17(21)22)15(19-12)10-6-8-11(25-2)9-7-10/h6-9,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyYIMBDJUWTBZPRQ-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.20
Rot. Bonds7

About 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid

6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid (PubChem CID 175431890) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid
PubChem CID175431890
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid
SMILESCCCCc1nc(-c2ccc(OC)cc2)c(C(=O)O)c(C(=O)O)c1O
InChIInChI=1S/C18H19NO6/c1-3-4-5-12-16(20)14(18(23)24)13(17(21)22)15(19-12)10-6-8-11(25-2)9-7-10/h6-9,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyYIMBDJUWTBZPRQ-UHFFFAOYSA-N
XLogP3.20
TPSA116.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
CID 175431840
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 139241108
5-hydroxy-2-[4-(4-methoxyphenyl)-2,2-dimethylbutyl]-6-phenylpyridine-3,4-dicarboxylic acid
CID 175920758
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid
CID 138532303
5-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-6-(2-methylsulfonylethyl)pyridine-3,4-dicarboxylic acid
CID 135331436
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
3-(4-bromophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3795495
1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid
CID 168974961
5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
CID 71252696

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid?
The IUPAC name of 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid (CID 175431890) is 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid?
The canonical SMILES for 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid is CCCCc1nc(-c2ccc(OC)cc2)c(C(=O)O)c(C(=O)O)c1O.
What is the InChIKey of 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid?
The InChIKey is YIMBDJUWTBZPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-3-4-5-12-16(20)14(18(23)24)13(17(21)22)15(19-12)10-6-8-11(25-2)9-7-10/h6-9,20H,3-5H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid?
6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid has a molecular weight of 345.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 175431890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).