5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid

C30H19Br2NO2 — CID 134191464

IUPAC5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3Br)cc(-c3ccccc3Br)c2)cn1
InChIInChI=1S/C30H19Br2NO2/c31-27-11-5-3-9-25(27)21-15-20(16-22(17-21)26-10-4-6-12-28(26)32)24-8-2-1-7-23(24)19-13-14-29(30(34)35)33-18-19/h1-18H,(H,34,35)
InChIKeyXOZXRTDOUYRJNZ-UHFFFAOYSA-N
MW585.30 g/mol
LogP8.97
Rot. Bonds5

About 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid

5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 134191464) has the molecular formula C30H19Br2NO2 and a molecular weight of 585.30 g/mol. Its IUPAC name is 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID134191464
Molecular FormulaC30H19Br2NO2
Molecular Weight585.30 g/mol
Exact Mass582.98
IUPAC Name5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3Br)cc(-c3ccccc3Br)c2)cn1
InChIInChI=1S/C30H19Br2NO2/c31-27-11-5-3-9-25(27)21-15-20(16-22(17-21)26-10-4-6-12-28(26)32)24-8-2-1-7-23(24)19-13-14-29(30(34)35)33-18-19/h1-18H,(H,34,35)
InChIKeyXOZXRTDOUYRJNZ-UHFFFAOYSA-N
XLogP8.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.30
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid (CID 134191464) is 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3Br)cc(-c3ccccc3Br)c2)cn1.
What is the InChIKey of 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is XOZXRTDOUYRJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br2NO2/c31-27-11-5-3-9-25(27)21-15-20(16-22(17-21)26-10-4-6-12-28(26)32)24-8-2-1-7-23(24)19-13-14-29(30(34)35)33-18-19/h1-18H,(H,34,35).
What are the key properties of 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid?
5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 585.30 g/mol, XLogP of 8.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 134191464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).