6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid

C21H19NO3 — CID 174420705

IUPAC6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
SMILESCCc1cc(-c2cccc(C(=O)O)n2)ccc1OCc1ccccc1
InChIInChI=1S/C21H19NO3/c1-2-16-13-17(18-9-6-10-19(22-18)21(23)24)11-12-20(16)25-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,23,24)
InChIKeyQMDWIWWKVINQHE-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.59
Rot. Bonds6

About 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid

6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 174420705) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
PubChem CID174420705
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
SMILESCCc1cc(-c2cccc(C(=O)O)n2)ccc1OCc1ccccc1
InChIInChI=1S/C21H19NO3/c1-2-16-13-17(18-9-6-10-19(22-18)21(23)24)11-12-20(16)25-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,23,24)
InChIKeyQMDWIWWKVINQHE-UHFFFAOYSA-N
XLogP4.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 174420706
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
6-[3-[[1-(2,2-dimethylpropyl)-4-propylindol-5-yl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 11951624
N-hydroxy-6-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 87562744
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid
CID 11362994
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
2-(3-ethoxy-4-phenylmethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20993409
2-phenyl-6-[1-(2-phenylmethoxyphenyl)ethenyl]pyridine
CID 67104799
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid (CID 174420705) is 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid is CCc1cc(-c2cccc(C(=O)O)n2)ccc1OCc1ccccc1.
What is the InChIKey of 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is QMDWIWWKVINQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-2-16-13-17(18-9-6-10-19(22-18)21(23)24)11-12-20(16)25-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,23,24).
What are the key properties of 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 174420705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).