6-cyclopropylpyridine-3-carbaldehyde

C9H9NO — CID 45083600

IUPAC6-cyclopropylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(C2CC2)nc1
InChIInChI=1S/C9H9NO/c11-6-7-1-4-9(10-5-7)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeyVZPQVEBWGXXTOC-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.77
Rot. Bonds2

About 6-cyclopropylpyridine-3-carbaldehyde

6-cyclopropylpyridine-3-carbaldehyde (PubChem CID 45083600) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-cyclopropylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-cyclopropylpyridine-3-carbaldehyde
PubChem CID45083600
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name6-cyclopropylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(C2CC2)nc1
InChIInChI=1S/C9H9NO/c11-6-7-1-4-9(10-5-7)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeyVZPQVEBWGXXTOC-UHFFFAOYSA-N
XLogP1.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclopropylpyridine-3-carbaldehyde?
The IUPAC name of 6-cyclopropylpyridine-3-carbaldehyde (CID 45083600) is 6-cyclopropylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-cyclopropylpyridine-3-carbaldehyde?
The canonical SMILES for 6-cyclopropylpyridine-3-carbaldehyde is O=Cc1ccc(C2CC2)nc1.
What is the InChIKey of 6-cyclopropylpyridine-3-carbaldehyde?
The InChIKey is VZPQVEBWGXXTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-6-7-1-4-9(10-5-7)8-2-3-8/h1,4-6,8H,2-3H2.
What are the key properties of 6-cyclopropylpyridine-3-carbaldehyde?
6-cyclopropylpyridine-3-carbaldehyde has a molecular weight of 147.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylpyridine-3-carbaldehyde is sourced from PubChem (CID 45083600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).