6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde

C9H6BrN3O — CID 80631120

IUPAC6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-n2cc(Br)cn2)nc1
InChIInChI=1S/C9H6BrN3O/c10-8-4-12-13(5-8)9-2-1-7(6-14)3-11-9/h1-6H
InChIKeyPJTDGLZXBZYPQS-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.84
Rot. Bonds2

About 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde

6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde (PubChem CID 80631120) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde
PubChem CID80631120
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-n2cc(Br)cn2)nc1
InChIInChI=1S/C9H6BrN3O/c10-8-4-12-13(5-8)9-2-1-7(6-14)3-11-9/h1-6H
InChIKeyPJTDGLZXBZYPQS-UHFFFAOYSA-N
XLogP1.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyl-6-(1H-pyrazol-1-yl)-3-pyridinecarboxamide
CID 3758868
(4-methylpiperazino)[6-(1H-pyrazol-1-yl)-3-pyridinyl]methanone
CID 3758761
1-(Pyridin-2-yl)-1H-pyrazole-4-carbaldehyde
CID 24704893
N-methyl-6-(1H-pyrazol-1-yl)nicotinamide
CID 3758867
1-[6-(Tetrazol-1-yl)-3-pyridinyl]ethanone
CID 118225265
6-(Tetrazol-1-yl)pyridine-3-carbaldehyde
CID 118233112
6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 2794775
6-(1H-Pyrazol-1-yl)-2-pyridinecarboxaldehyde
CID 10511407
5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehyde
CID 21097352
3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde
CID 22054403
1-(pyridin-2-yl)-1H-pyrazole-5-carbaldehyde
CID 56956057
1-methyl-1H-pyrazolo(3,4-b)pyridine-5-carbaldehyde
CID 63771016

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde (CID 80631120) is 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde is O=Cc1ccc(-n2cc(Br)cn2)nc1.
What is the InChIKey of 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde?
The InChIKey is PJTDGLZXBZYPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-8-4-12-13(5-8)9-2-1-7(6-14)3-11-9/h1-6H.
What are the key properties of 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde?
6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde has a molecular weight of 252.07 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80631120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).