1-(2-bromophenyl)-2H-pyridine

C11H10BrN — CID 66960721

IUPAC1-(2-bromophenyl)-2H-pyridine
SMILESBrc1ccccc1N1C=CC=CC1
InChIInChI=1S/C11H10BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h1-8H,9H2
InChIKeyMUUQCMOOXBXTGO-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.34
Rot. Bonds1

About 1-(2-bromophenyl)-2H-pyridine

1-(2-bromophenyl)-2H-pyridine (PubChem CID 66960721) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2H-pyridine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2H-pyridine
PubChem CID66960721
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name1-(2-bromophenyl)-2H-pyridine
SMILESBrc1ccccc1N1C=CC=CC1
InChIInChI=1S/C11H10BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h1-8H,9H2
InChIKeyMUUQCMOOXBXTGO-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2H-pyridine?
The IUPAC name of 1-(2-bromophenyl)-2H-pyridine (CID 66960721) is 1-(2-bromophenyl)-2H-pyridine.
What is the SMILES notation for 1-(2-bromophenyl)-2H-pyridine?
The canonical SMILES for 1-(2-bromophenyl)-2H-pyridine is Brc1ccccc1N1C=CC=CC1.
What is the InChIKey of 1-(2-bromophenyl)-2H-pyridine?
The InChIKey is MUUQCMOOXBXTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h1-8H,9H2.
What are the key properties of 1-(2-bromophenyl)-2H-pyridine?
1-(2-bromophenyl)-2H-pyridine has a molecular weight of 236.11 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2H-pyridine is sourced from PubChem (CID 66960721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).