6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid

C20H17NO3 — CID 171390969

IUPAC6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2cccc(OCc3ccccc3)c2)c(C(=O)O)cn1
InChIInChI=1S/C20H17NO3/c1-14-10-18(19(12-21-14)20(22)23)16-8-5-9-17(11-16)24-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyHOKCZICFVXUHSX-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.33
Rot. Bonds5

About 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid

6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 171390969) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
PubChem CID171390969
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2cccc(OCc3ccccc3)c2)c(C(=O)O)cn1
InChIInChI=1S/C20H17NO3/c1-14-10-18(19(12-21-14)20(22)23)16-8-5-9-17(11-16)24-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyHOKCZICFVXUHSX-UHFFFAOYSA-N
XLogP4.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
2-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172648598
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
6-methyl-4-(3-methylsulfonylphenyl)pyridine-3-carboxylic acid
CID 171390970
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
ethane;4-phenylmethoxyphthalic acid
CID 90802135
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide
CID 172648851
7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid
CID 171663125

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid (CID 171390969) is 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid is Cc1cc(-c2cccc(OCc3ccccc3)c2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is HOKCZICFVXUHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14-10-18(19(12-21-14)20(22)23)16-8-5-9-17(11-16)24-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid?
6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 171390969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).