6-bromo-4-pyrazol-1-ylquinoline

C12H8BrN3 — CID 162750706

IUPAC6-bromo-4-pyrazol-1-ylquinoline
SMILESBrc1ccc2nccc(-n3cccn3)c2c1
InChIInChI=1S/C12H8BrN3/c13-9-2-3-11-10(8-9)12(4-6-14-11)16-7-1-5-15-16/h1-8H
InChIKeyKOAOKHSITKQQLX-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.18
Rot. Bonds1

About 6-bromo-4-pyrazol-1-ylquinoline

6-bromo-4-pyrazol-1-ylquinoline (PubChem CID 162750706) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 6-bromo-4-pyrazol-1-ylquinoline.

Molecular Properties

Compound Name6-bromo-4-pyrazol-1-ylquinoline
PubChem CID162750706
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name6-bromo-4-pyrazol-1-ylquinoline
SMILESBrc1ccc2nccc(-n3cccn3)c2c1
InChIInChI=1S/C12H8BrN3/c13-9-2-3-11-10(8-9)12(4-6-14-11)16-7-1-5-15-16/h1-8H
InChIKeyKOAOKHSITKQQLX-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-pyrazol-1-ylquinoline?
The IUPAC name of 6-bromo-4-pyrazol-1-ylquinoline (CID 162750706) is 6-bromo-4-pyrazol-1-ylquinoline.
What is the SMILES notation for 6-bromo-4-pyrazol-1-ylquinoline?
The canonical SMILES for 6-bromo-4-pyrazol-1-ylquinoline is Brc1ccc2nccc(-n3cccn3)c2c1.
What is the InChIKey of 6-bromo-4-pyrazol-1-ylquinoline?
The InChIKey is KOAOKHSITKQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-9-2-3-11-10(8-9)12(4-6-14-11)16-7-1-5-15-16/h1-8H.
What are the key properties of 6-bromo-4-pyrazol-1-ylquinoline?
6-bromo-4-pyrazol-1-ylquinoline has a molecular weight of 274.12 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-pyrazol-1-ylquinoline is sourced from PubChem (CID 162750706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).