3-bromo-4-(4-methoxyphenyl)pyridine

C12H10BrNO — CID 11357524

IUPAC3-bromo-4-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccncc2Br)cc1
InChIInChI=1S/C12H10BrNO/c1-15-10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h2-8H,1H3
InChIKeyOHGNCIYQZUABSZ-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.52
Rot. Bonds2

About 3-bromo-4-(4-methoxyphenyl)pyridine

3-bromo-4-(4-methoxyphenyl)pyridine (PubChem CID 11357524) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-bromo-4-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(4-methoxyphenyl)pyridine
PubChem CID11357524
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name3-bromo-4-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccncc2Br)cc1
InChIInChI=1S/C12H10BrNO/c1-15-10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h2-8H,1H3
InChIKeyOHGNCIYQZUABSZ-UHFFFAOYSA-N
XLogP3.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methoxyphenyl)pyridine?
The IUPAC name of 3-bromo-4-(4-methoxyphenyl)pyridine (CID 11357524) is 3-bromo-4-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 3-bromo-4-(4-methoxyphenyl)pyridine?
The canonical SMILES for 3-bromo-4-(4-methoxyphenyl)pyridine is COc1ccc(-c2ccncc2Br)cc1.
What is the InChIKey of 3-bromo-4-(4-methoxyphenyl)pyridine?
The InChIKey is OHGNCIYQZUABSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c1-15-10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h2-8H,1H3.
What are the key properties of 3-bromo-4-(4-methoxyphenyl)pyridine?
3-bromo-4-(4-methoxyphenyl)pyridine has a molecular weight of 264.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methoxyphenyl)pyridine is sourced from PubChem (CID 11357524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).