2-bromo-4-(4-propan-2-ylphenyl)pyridine

C14H14BrN — CID 83744883

IUPAC2-bromo-4-(4-propan-2-ylphenyl)pyridine
SMILESCC(C)c1ccc(-c2ccnc(Br)c2)cc1
InChIInChI=1S/C14H14BrN/c1-10(2)11-3-5-12(6-4-11)13-7-8-16-14(15)9-13/h3-10H,1-2H3
InChIKeyYETHPSWQVAHDQB-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.63
Rot. Bonds2

About 2-bromo-4-(4-propan-2-ylphenyl)pyridine

2-bromo-4-(4-propan-2-ylphenyl)pyridine (PubChem CID 83744883) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-bromo-4-(4-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(4-propan-2-ylphenyl)pyridine
PubChem CID83744883
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name2-bromo-4-(4-propan-2-ylphenyl)pyridine
SMILESCC(C)c1ccc(-c2ccnc(Br)c2)cc1
InChIInChI=1S/C14H14BrN/c1-10(2)11-3-5-12(6-4-11)13-7-8-16-14(15)9-13/h3-10H,1-2H3
InChIKeyYETHPSWQVAHDQB-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-propan-2-ylphenyl)pyridine?
The IUPAC name of 2-bromo-4-(4-propan-2-ylphenyl)pyridine (CID 83744883) is 2-bromo-4-(4-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 2-bromo-4-(4-propan-2-ylphenyl)pyridine?
The canonical SMILES for 2-bromo-4-(4-propan-2-ylphenyl)pyridine is CC(C)c1ccc(-c2ccnc(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-(4-propan-2-ylphenyl)pyridine?
The InChIKey is YETHPSWQVAHDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-10(2)11-3-5-12(6-4-11)13-7-8-16-14(15)9-13/h3-10H,1-2H3.
What are the key properties of 2-bromo-4-(4-propan-2-ylphenyl)pyridine?
2-bromo-4-(4-propan-2-ylphenyl)pyridine has a molecular weight of 276.18 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 83744883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).