3-bromo-4-methyl-5-phenylpyridine

C12H10BrN — CID 90710455

IUPAC3-bromo-4-methyl-5-phenylpyridine
SMILESCc1c(Br)cncc1-c1ccccc1
InChIInChI=1S/C12H10BrN/c1-9-11(7-14-8-12(9)13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyCWIUHXZJIIQIJM-UHFFFAOYSA-N
MW248.12 g/mol
LogP3.82
Rot. Bonds1

About 3-bromo-4-methyl-5-phenylpyridine

3-bromo-4-methyl-5-phenylpyridine (PubChem CID 90710455) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-phenylpyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-5-phenylpyridine
PubChem CID90710455
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name3-bromo-4-methyl-5-phenylpyridine
SMILESCc1c(Br)cncc1-c1ccccc1
InChIInChI=1S/C12H10BrN/c1-9-11(7-14-8-12(9)13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyCWIUHXZJIIQIJM-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 3-bromo-4-methyl-5-phenylpyridine?
The IUPAC name of 3-bromo-4-methyl-5-phenylpyridine (CID 90710455) is 3-bromo-4-methyl-5-phenylpyridine.
What is the SMILES notation for 3-bromo-4-methyl-5-phenylpyridine?
The canonical SMILES for 3-bromo-4-methyl-5-phenylpyridine is Cc1c(Br)cncc1-c1ccccc1.
What is the InChIKey of 3-bromo-4-methyl-5-phenylpyridine?
The InChIKey is CWIUHXZJIIQIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c1-9-11(7-14-8-12(9)13)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-bromo-4-methyl-5-phenylpyridine?
3-bromo-4-methyl-5-phenylpyridine 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 3-bromo-4-methyl-5-phenylpyridine is sourced from PubChem (CID 90710455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).