5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid

C32H25NO2 — CID 70605570

IUPAC5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C32H25NO2/c34-31(35)29-22-21-28(23-33-29)32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)30(24-13-5-1-6-14-24)25-15-7-2-8-16-25/h1-23,30H,(H,34,35)
InChIKeyQTHMNIHJHAHIRK-UHFFFAOYSA-N
MW455.56 g/mol
LogP6.95
Rot. Bonds7

About 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid

5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid (PubChem CID 70605570) has the molecular formula C32H25NO2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid
PubChem CID70605570
Molecular FormulaC32H25NO2
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C32H25NO2/c34-31(35)29-22-21-28(23-33-29)32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)30(24-13-5-1-6-14-24)25-15-7-2-8-16-25/h1-23,30H,(H,34,35)
InChIKeyQTHMNIHJHAHIRK-UHFFFAOYSA-N
XLogP6.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid
CID 21333395
5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid
CID 142789603
pyridine-2,5-dicarboxylic acid
CID 158970171
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-benzoylpyridine-2-carboxylic acid
CID 165358123
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid
CID 70268469
5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 130679702
N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide
CID 167915612
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741
5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81089954
isoquinoline-3-carboxylic acid;rhenium
CID 59015469
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
CID 171652736

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid (CID 70605570) is 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid?
The InChIKey is QTHMNIHJHAHIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO2/c34-31(35)29-22-21-28(23-33-29)32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)30(24-13-5-1-6-14-24)25-15-7-2-8-16-25/h1-23,30H,(H,34,35).
What are the key properties of 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid?
5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid has a molecular weight of 455.56 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 70605570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).