2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde

C10H9N3O — CID 96625943

IUPAC2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde
SMILESCn1ccc(-c2ncccc2C=O)n1
InChIInChI=1S/C10H9N3O/c1-13-6-4-9(12-13)10-8(7-14)3-2-5-11-10/h2-7H,1H3
InChIKeyHFVLWJIDOLRZRR-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.29
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde

2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde (PubChem CID 96625943) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde
PubChem CID96625943
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde
SMILESCn1ccc(-c2ncccc2C=O)n1
InChIInChI=1S/C10H9N3O/c1-13-6-4-9(12-13)10-8(7-14)3-2-5-11-10/h2-7H,1H3
InChIKeyHFVLWJIDOLRZRR-UHFFFAOYSA-N
XLogP1.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.29
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 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde (CID 96625943) is 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde is Cn1ccc(-c2ncccc2C=O)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde?
The InChIKey is HFVLWJIDOLRZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-13-6-4-9(12-13)10-8(7-14)3-2-5-11-10/h2-7H,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde?
2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 96625943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).