[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol

C13H10BrN3O — CID 61255216

IUPAC[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
SMILESOCc1cc(-n2cc(Br)cn2)nc2ccccc12
InChIInChI=1S/C13H10BrN3O/c14-10-6-15-17(7-10)13-5-9(8-18)11-3-1-2-4-12(11)16-13/h1-7,18H,8H2
InChIKeyZAZQUDSXCJLMKO-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.68
Rot. Bonds2

About [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol

[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol (PubChem CID 61255216) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
PubChem CID61255216
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
SMILESOCc1cc(-n2cc(Br)cn2)nc2ccccc12
InChIInChI=1S/C13H10BrN3O/c14-10-6-15-17(7-10)13-5-9(8-18)11-3-1-2-4-12(11)16-13/h1-7,18H,8H2
InChIKeyZAZQUDSXCJLMKO-UHFFFAOYSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol?
The IUPAC name of [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol (CID 61255216) is [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol is OCc1cc(-n2cc(Br)cn2)nc2ccccc12.
What is the InChIKey of [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol?
The InChIKey is ZAZQUDSXCJLMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-10-6-15-17(7-10)13-5-9(8-18)11-3-1-2-4-12(11)16-13/h1-7,18H,8H2.
What are the key properties of [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol?
[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol has a molecular weight of 304.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol is sourced from PubChem (CID 61255216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).