4-(4-bromopyrazol-1-yl)quinoline

C12H8BrN3 — CID 61339389

IUPAC4-(4-bromopyrazol-1-yl)quinoline
SMILESBrc1cnn(-c2ccnc3ccccc23)c1
InChIInChI=1S/C12H8BrN3/c13-9-7-15-16(8-9)12-5-6-14-11-4-2-1-3-10(11)12/h1-8H
InChIKeyMSXVPUSKAYGJIF-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.18
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)quinoline

4-(4-bromopyrazol-1-yl)quinoline (PubChem CID 61339389) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)quinoline.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)quinoline
PubChem CID61339389
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name4-(4-bromopyrazol-1-yl)quinoline
SMILESBrc1cnn(-c2ccnc3ccccc23)c1
InChIInChI=1S/C12H8BrN3/c13-9-7-15-16(8-9)12-5-6-14-11-4-2-1-3-10(11)12/h1-8H
InChIKeyMSXVPUSKAYGJIF-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 4-(4-bromopyrazol-1-yl)quinoline?
The IUPAC name of 4-(4-bromopyrazol-1-yl)quinoline (CID 61339389) is 4-(4-bromopyrazol-1-yl)quinoline.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)quinoline?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)quinoline is Brc1cnn(-c2ccnc3ccccc23)c1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)quinoline?
The InChIKey is MSXVPUSKAYGJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-9-7-15-16(8-9)12-5-6-14-11-4-2-1-3-10(11)12/h1-8H.
What are the key properties of 4-(4-bromopyrazol-1-yl)quinoline?
4-(4-bromopyrazol-1-yl)quinoline 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 4-(4-bromopyrazol-1-yl)quinoline is sourced from PubChem (CID 61339389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).