3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid

C28H25NO2 — CID 21333399

IUPAC3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid
SMILESCCc1cc(C(c2ccccc2)(c2ccccc2)c2cccc(C)c2)cnc1C(=O)O
InChIInChI=1S/C28H25NO2/c1-3-21-18-25(19-29-26(21)27(30)31)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)24-16-10-11-20(2)17-24/h4-19H,3H2,1-2H3,(H,30,31)
InChIKeyPICKYMGCDGYFRN-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.03
Rot. Bonds6

About 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid

3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid (PubChem CID 21333399) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid
PubChem CID21333399
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC Name3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid
SMILESCCc1cc(C(c2ccccc2)(c2ccccc2)c2cccc(C)c2)cnc1C(=O)O
InChIInChI=1S/C28H25NO2/c1-3-21-18-25(19-29-26(21)27(30)31)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)24-16-10-11-20(2)17-24/h4-19H,3H2,1-2H3,(H,30,31)
InChIKeyPICKYMGCDGYFRN-UHFFFAOYSA-N
XLogP6.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid (CID 21333399) is 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid is CCc1cc(C(c2ccccc2)(c2ccccc2)c2cccc(C)c2)cnc1C(=O)O.
What is the InChIKey of 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid?
The InChIKey is PICKYMGCDGYFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-3-21-18-25(19-29-26(21)27(30)31)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)24-16-10-11-20(2)17-24/h4-19H,3H2,1-2H3,(H,30,31).
What are the key properties of 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid?
3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid has a molecular weight of 407.51 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21333399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).