5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid

C21H19NO2 — CID 22748807

IUPAC5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C21H19NO2/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)18-11-12-19(21(23)24)22-13-18/h3-13,20H,1-2H3,(H,23,24)
InChIKeyXMIJZVGMDPUSMD-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.58
Rot. Bonds4

About 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid

5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid (PubChem CID 22748807) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid
PubChem CID22748807
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C21H19NO2/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)18-11-12-19(21(23)24)22-13-18/h3-13,20H,1-2H3,(H,23,24)
InChIKeyXMIJZVGMDPUSMD-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid (CID 22748807) is 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid is Cc1ccc(C(c2ccc(C)cc2)c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid?
The InChIKey is XMIJZVGMDPUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)18-11-12-19(21(23)24)22-13-18/h3-13,20H,1-2H3,(H,23,24).
What are the key properties of 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid?
5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 22748807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).