2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid

C21H19NO2 — CID 174676589

IUPAC2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
SMILESCc1cccc(-c2ccc(-c3cccnc3)cc2)c1C(C)C(=O)O
InChIInChI=1S/C21H19NO2/c1-14-5-3-7-19(20(14)15(2)21(23)24)17-10-8-16(9-11-17)18-6-4-12-22-13-18/h3-13,15H,1-2H3,(H,23,24)
InChIKeyVQWFRXOXSTZKKF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.91
Rot. Bonds4

About 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid

2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid (PubChem CID 174676589) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
PubChem CID174676589
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
SMILESCc1cccc(-c2ccc(-c3cccnc3)cc2)c1C(C)C(=O)O
InChIInChI=1S/C21H19NO2/c1-14-5-3-7-19(20(14)15(2)21(23)24)17-10-8-16(9-11-17)18-6-4-12-22-13-18/h3-13,15H,1-2H3,(H,23,24)
InChIKeyVQWFRXOXSTZKKF-UHFFFAOYSA-N
XLogP4.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid
CID 90916200
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-(2-methylphenyl)pyridine
CID 4133191
ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 159010834
3-azulen-6-ylpyridine
CID 86232079
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
cyclopenta[c]azepine
CID 638010
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride
CID 86744861

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid?
The IUPAC name of 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid (CID 174676589) is 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid is Cc1cccc(-c2ccc(-c3cccnc3)cc2)c1C(C)C(=O)O.
What is the InChIKey of 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid?
The InChIKey is VQWFRXOXSTZKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-5-3-7-19(20(14)15(2)21(23)24)17-10-8-16(9-11-17)18-6-4-12-22-13-18/h3-13,15H,1-2H3,(H,23,24).
What are the key properties of 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid?
2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid has a molecular weight of 317.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 174676589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).