5-bromo-2-(2-methylphenyl)pyridine

C12H10BrN — CID 13128385

IUPAC5-bromo-2-(2-methylphenyl)pyridine
SMILESCc1ccccc1-c1ccc(Br)cn1
InChIInChI=1S/C12H10BrN/c1-9-4-2-3-5-11(9)12-7-6-10(13)8-14-12/h2-8H,1H3
InChIKeyQKYDTWSRQURVQZ-UHFFFAOYSA-N
MW248.12 g/mol
LogP3.82
Rot. Bonds1

About 5-bromo-2-(2-methylphenyl)pyridine

5-bromo-2-(2-methylphenyl)pyridine (PubChem CID 13128385) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 5-bromo-2-(2-methylphenyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-methylphenyl)pyridine
PubChem CID13128385
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name5-bromo-2-(2-methylphenyl)pyridine
SMILESCc1ccccc1-c1ccc(Br)cn1
InChIInChI=1S/C12H10BrN/c1-9-4-2-3-5-11(9)12-7-6-10(13)8-14-12/h2-8H,1H3
InChIKeyQKYDTWSRQURVQZ-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylphenyl)pyridine?
The IUPAC name of 5-bromo-2-(2-methylphenyl)pyridine (CID 13128385) is 5-bromo-2-(2-methylphenyl)pyridine.
What is the SMILES notation for 5-bromo-2-(2-methylphenyl)pyridine?
The canonical SMILES for 5-bromo-2-(2-methylphenyl)pyridine is Cc1ccccc1-c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-methylphenyl)pyridine?
The InChIKey is QKYDTWSRQURVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c1-9-4-2-3-5-11(9)12-7-6-10(13)8-14-12/h2-8H,1H3.
What are the key properties of 5-bromo-2-(2-methylphenyl)pyridine?
5-bromo-2-(2-methylphenyl)pyridine has a molecular weight of 248.12 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylphenyl)pyridine is sourced from PubChem (CID 13128385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).