6-cyclopropylpyridine-2-carbaldehyde

C9H9NO — CID 19361721

IUPAC6-cyclopropylpyridine-2-carbaldehyde
SMILESO=Cc1cccc(C2CC2)n1
InChIInChI=1S/C9H9NO/c11-6-8-2-1-3-9(10-8)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyOEBPATOPDYFHIV-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.77
Rot. Bonds2

About 6-cyclopropylpyridine-2-carbaldehyde

6-cyclopropylpyridine-2-carbaldehyde (PubChem CID 19361721) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-cyclopropylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-cyclopropylpyridine-2-carbaldehyde
PubChem CID19361721
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name6-cyclopropylpyridine-2-carbaldehyde
SMILESO=Cc1cccc(C2CC2)n1
InChIInChI=1S/C9H9NO/c11-6-8-2-1-3-9(10-8)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyOEBPATOPDYFHIV-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-2-carbaldehyde?
The IUPAC name of 6-cyclopropylpyridine-2-carbaldehyde (CID 19361721) is 6-cyclopropylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-cyclopropylpyridine-2-carbaldehyde?
The canonical SMILES for 6-cyclopropylpyridine-2-carbaldehyde is O=Cc1cccc(C2CC2)n1.
What is the InChIKey of 6-cyclopropylpyridine-2-carbaldehyde?
The InChIKey is OEBPATOPDYFHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-6-8-2-1-3-9(10-8)7-4-5-7/h1-3,6-7H,4-5H2.
What are the key properties of 6-cyclopropylpyridine-2-carbaldehyde?
6-cyclopropylpyridine-2-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-2-carbaldehyde is sourced from PubChem (CID 19361721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).