2-(4-bromophenyl)-3-propan-2-ylpyridine

C14H14BrN — CID 58439490

IUPAC2-(4-bromophenyl)-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1-c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN/c1-10(2)13-4-3-9-16-14(13)11-5-7-12(15)8-6-11/h3-10H,1-2H3
InChIKeyXWPVIBXPXCLKHP-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.63
Rot. Bonds2

About 2-(4-bromophenyl)-3-propan-2-ylpyridine

2-(4-bromophenyl)-3-propan-2-ylpyridine (PubChem CID 58439490) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-propan-2-ylpyridine
PubChem CID58439490
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name2-(4-bromophenyl)-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1-c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN/c1-10(2)13-4-3-9-16-14(13)11-5-7-12(15)8-6-11/h3-10H,1-2H3
InChIKeyXWPVIBXPXCLKHP-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-propan-2-ylpyridine?
The IUPAC name of 2-(4-bromophenyl)-3-propan-2-ylpyridine (CID 58439490) is 2-(4-bromophenyl)-3-propan-2-ylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-3-propan-2-ylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-3-propan-2-ylpyridine is CC(C)c1cccnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-propan-2-ylpyridine?
The InChIKey is XWPVIBXPXCLKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-10(2)13-4-3-9-16-14(13)11-5-7-12(15)8-6-11/h3-10H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-propan-2-ylpyridine?
2-(4-bromophenyl)-3-propan-2-ylpyridine 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-(4-bromophenyl)-3-propan-2-ylpyridine is sourced from PubChem (CID 58439490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).