2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C8H6BrN3O2 — CID 177058249

IUPAC2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(Br)nn2cc(CO)cnc12
InChIInChI=1S/C8H6BrN3O2/c9-7-6(4-14)8-10-1-5(3-13)2-12(8)11-7/h1-2,4,13H,3H2
InChIKeyZASSPJCGGJIMBW-UHFFFAOYSA-N
MW256.06 g/mol
LogP0.80
Rot. Bonds2

About 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 177058249) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID177058249
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(Br)nn2cc(CO)cnc12
InChIInChI=1S/C8H6BrN3O2/c9-7-6(4-14)8-10-1-5(3-13)2-12(8)11-7/h1-2,4,13H,3H2
InChIKeyZASSPJCGGJIMBW-UHFFFAOYSA-N
XLogP0.80
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
CID 84767334
5-(benzylamino)-2-bromopyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 157038397
(2-bromo-8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanol
CID 129019436
3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine
CID 84710228
2-bromopyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 105482731
N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 104621807
2,4,5-tribromopyridine-3-carbaldehyde
CID 169113247
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 104621808
3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
CID 130739835
6-(hydroxymethyl)-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130900261
2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 86720892

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 177058249) is 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1c(Br)nn2cc(CO)cnc12.
What is the InChIKey of 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is ZASSPJCGGJIMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-7-6(4-14)8-10-1-5(3-13)2-12(8)11-7/h1-2,4,13H,3H2.
What are the key properties of 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 256.06 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 177058249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).