3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid

C21H17NO6 — CID 54512111

IUPAC3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C21H17NO6/c23-20(24)16-11-17(27-12-14-7-3-1-4-8-14)19(18(22-16)21(25)26)28-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,23,24)(H,25,26)
InChIKeyYJVXHTUQYWKRTA-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.64
Rot. Bonds8

About 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid

3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid (PubChem CID 54512111) has the molecular formula C21H17NO6 and a molecular weight of 379.37 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
PubChem CID54512111
Molecular FormulaC21H17NO6
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C21H17NO6/c23-20(24)16-11-17(27-12-14-7-3-1-4-8-14)19(18(22-16)21(25)26)28-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,23,24)(H,25,26)
InChIKeyYJVXHTUQYWKRTA-UHFFFAOYSA-N
XLogP3.64
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid
CID 102152725
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
1-chloro-4-hydroxy-7-phenylmethoxyisoquinoline-3-carboxylic acid
CID 18698130
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
1-(dimethylcarbamoyl)-4-phenylmethoxyisoquinoline-3-carboxylic acid
CID 66713108
1-chloro-6,7-bis(phenylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 174188709
7-iodo-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91216154
2,5-dioxo-6-phenylmethoxy-1,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 135772687

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid (CID 54512111) is 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid is O=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(C(=O)O)n1.
What is the InChIKey of 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid?
The InChIKey is YJVXHTUQYWKRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO6/c23-20(24)16-11-17(27-12-14-7-3-1-4-8-14)19(18(22-16)21(25)26)28-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,23,24)(H,25,26).
What are the key properties of 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid?
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid has a molecular weight of 379.37 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 54512111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).