6-pyrazol-1-ylpyridine-2-carbaldehyde

C9H7N3O — CID 10511407

IUPAC6-pyrazol-1-ylpyridine-2-carbaldehyde
SMILESO=Cc1cccc(-n2cccn2)n1
InChIInChI=1S/C9H7N3O/c13-7-8-3-1-4-9(11-8)12-6-2-5-10-12/h1-7H
InChIKeyBSBJWZBKEYTLDC-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.08
Rot. Bonds2

About 6-pyrazol-1-ylpyridine-2-carbaldehyde

6-pyrazol-1-ylpyridine-2-carbaldehyde (PubChem CID 10511407) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-pyrazol-1-ylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-pyrazol-1-ylpyridine-2-carbaldehyde
PubChem CID10511407
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name6-pyrazol-1-ylpyridine-2-carbaldehyde
SMILESO=Cc1cccc(-n2cccn2)n1
InChIInChI=1S/C9H7N3O/c13-7-8-3-1-4-9(11-8)12-6-2-5-10-12/h1-7H
InChIKeyBSBJWZBKEYTLDC-UHFFFAOYSA-N
XLogP1.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-ylpyridine-2-carbaldehyde?
The IUPAC name of 6-pyrazol-1-ylpyridine-2-carbaldehyde (CID 10511407) is 6-pyrazol-1-ylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-pyrazol-1-ylpyridine-2-carbaldehyde?
The canonical SMILES for 6-pyrazol-1-ylpyridine-2-carbaldehyde is O=Cc1cccc(-n2cccn2)n1.
What is the InChIKey of 6-pyrazol-1-ylpyridine-2-carbaldehyde?
The InChIKey is BSBJWZBKEYTLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-7-8-3-1-4-9(11-8)12-6-2-5-10-12/h1-7H.
What are the key properties of 6-pyrazol-1-ylpyridine-2-carbaldehyde?
6-pyrazol-1-ylpyridine-2-carbaldehyde has a molecular weight of 173.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-ylpyridine-2-carbaldehyde is sourced from PubChem (CID 10511407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).