5-(5-bromo-3-pyridinyl)isoquinoline

C14H9BrN2 — CID 172649263

IUPAC5-(5-bromo-3-pyridinyl)isoquinoline
SMILESBrc1cncc(-c2cccc3cnccc23)c1
InChIInChI=1S/C14H9BrN2/c15-12-6-11(8-17-9-12)13-3-1-2-10-7-16-5-4-14(10)13/h1-9H
InChIKeyWXZHXDGJMAOLNG-UHFFFAOYSA-N
MW285.14 g/mol
LogP4.06
Rot. Bonds1

About 5-(5-bromo-3-pyridinyl)isoquinoline

5-(5-bromo-3-pyridinyl)isoquinoline (PubChem CID 172649263) has the molecular formula C14H9BrN2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)isoquinoline.

Molecular Properties

Compound Name5-(5-bromo-3-pyridinyl)isoquinoline
PubChem CID172649263
Molecular FormulaC14H9BrN2
Molecular Weight285.14 g/mol
Exact Mass283.99
IUPAC Name5-(5-bromo-3-pyridinyl)isoquinoline
SMILESBrc1cncc(-c2cccc3cnccc23)c1
InChIInChI=1S/C14H9BrN2/c15-12-6-11(8-17-9-12)13-3-1-2-10-7-16-5-4-14(10)13/h1-9H
InChIKeyWXZHXDGJMAOLNG-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-pyridinyl)isoquinoline?
The IUPAC name of 5-(5-bromo-3-pyridinyl)isoquinoline (CID 172649263) is 5-(5-bromo-3-pyridinyl)isoquinoline.
What is the SMILES notation for 5-(5-bromo-3-pyridinyl)isoquinoline?
The canonical SMILES for 5-(5-bromo-3-pyridinyl)isoquinoline is Brc1cncc(-c2cccc3cnccc23)c1.
What is the InChIKey of 5-(5-bromo-3-pyridinyl)isoquinoline?
The InChIKey is WXZHXDGJMAOLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2/c15-12-6-11(8-17-9-12)13-3-1-2-10-7-16-5-4-14(10)13/h1-9H.
What are the key properties of 5-(5-bromo-3-pyridinyl)isoquinoline?
5-(5-bromo-3-pyridinyl)isoquinoline has a molecular weight of 285.14 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-pyridinyl)isoquinoline is sourced from PubChem (CID 172649263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).