5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid

C20H17NO4 — CID 166479827

IUPAC5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)n1
InChIInChI=1S/C20H17NO4/c22-20(23)17-11-12-18(24-13-15-7-3-1-4-8-15)19(21-17)25-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,22,23)
InChIKeyHCCKWJGRXNVIRR-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.94
Rot. Bonds7

About 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid

5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid (PubChem CID 166479827) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
PubChem CID166479827
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)n1
InChIInChI=1S/C20H17NO4/c22-20(23)17-11-12-18(24-13-15-7-3-1-4-8-15)19(21-17)25-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,22,23)
InChIKeyHCCKWJGRXNVIRR-UHFFFAOYSA-N
XLogP3.94
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
5-amino-6-phenylmethoxypyridine-2-carboxamide
CID 114408377
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 174420705
2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid
CID 155391814
5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid
CID 118428749
2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
CID 18973803
methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 118023691
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
6-(4-chloro-3-phenylmethoxyphenyl)-5-(trifluoromethylsulfonyloxy)pyridine-2-carboxylic acid
CID 87613481
2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid
CID 71610348
6-bromo-2-chloro-3-phenylmethoxybenzoic acid
CID 146035320

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid (CID 166479827) is 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)n1.
What is the InChIKey of 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is HCCKWJGRXNVIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-20(23)17-11-12-18(24-13-15-7-3-1-4-8-15)19(21-17)25-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,22,23).
What are the key properties of 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid?
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 166479827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).