4-(2-bromophenyl)-1,2-dihydropyridine

C11H10BrN — CID 173278953

IUPAC4-(2-bromophenyl)-1,2-dihydropyridine
SMILESBrc1ccccc1C1=CCNC=C1
InChIInChI=1S/C11H10BrN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-7,13H,8H2
InChIKeyOLRJQSYAEKJAGM-UHFFFAOYSA-N
MW236.11 g/mol
LogP2.95
Rot. Bonds1

About 4-(2-bromophenyl)-1,2-dihydropyridine

4-(2-bromophenyl)-1,2-dihydropyridine (PubChem CID 173278953) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(2-bromophenyl)-1,2-dihydropyridine
PubChem CID173278953
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name4-(2-bromophenyl)-1,2-dihydropyridine
SMILESBrc1ccccc1C1=CCNC=C1
InChIInChI=1S/C11H10BrN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-7,13H,8H2
InChIKeyOLRJQSYAEKJAGM-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1,2-dihydropyridine?
The IUPAC name of 4-(2-bromophenyl)-1,2-dihydropyridine (CID 173278953) is 4-(2-bromophenyl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(2-bromophenyl)-1,2-dihydropyridine?
The canonical SMILES for 4-(2-bromophenyl)-1,2-dihydropyridine is Brc1ccccc1C1=CCNC=C1.
What is the InChIKey of 4-(2-bromophenyl)-1,2-dihydropyridine?
The InChIKey is OLRJQSYAEKJAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-7,13H,8H2.
What are the key properties of 4-(2-bromophenyl)-1,2-dihydropyridine?
4-(2-bromophenyl)-1,2-dihydropyridine has a molecular weight of 236.11 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1,2-dihydropyridine is sourced from PubChem (CID 173278953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).