2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine

C15H12BrClN2 — CID 175305128

IUPAC2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine
SMILESClc1ccc(-c2ccc[nH]2)cc1Br.c1ccncc1
InChIInChI=1S/C10H7BrClN.C5H5N/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10;1-2-4-6-5-3-1/h1-6,13H;1-5H
InChIKeyKDLZDQKSOJCFET-UHFFFAOYSA-N
MW335.63 g/mol
LogP5.18
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine

2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine (PubChem CID 175305128) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine
PubChem CID175305128
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine
SMILESClc1ccc(-c2ccc[nH]2)cc1Br.c1ccncc1
InChIInChI=1S/C10H7BrClN.C5H5N/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10;1-2-4-6-5-3-1/h1-6,13H;1-5H
InChIKeyKDLZDQKSOJCFET-UHFFFAOYSA-N
XLogP5.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.63
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine (CID 175305128) is 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine is Clc1ccc(-c2ccc[nH]2)cc1Br.c1ccncc1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine?
The InChIKey is KDLZDQKSOJCFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN.C5H5N/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10;1-2-4-6-5-3-1/h1-6,13H;1-5H.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine?
2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine has a molecular weight of 335.63 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine is sourced from PubChem (CID 175305128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).