4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde

C10H9NO — CID 121320866

IUPAC4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde
SMILESCc1cc(C=O)nc2c1=CCC=2
InChIInChI=1S/C10H9NO/c1-7-5-8(6-12)11-10-4-2-3-9(7)10/h3-6H,2H2,1H3
InChIKeyDTJCUBZYGLOJSQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.17
Rot. Bonds1

About 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde

4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde (PubChem CID 121320866) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde
PubChem CID121320866
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde
SMILESCc1cc(C=O)nc2c1=CCC=2
InChIInChI=1S/C10H9NO/c1-7-5-8(6-12)11-10-4-2-3-9(7)10/h3-6H,2H2,1H3
InChIKeyDTJCUBZYGLOJSQ-UHFFFAOYSA-N
XLogP0.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.17
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 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde?
The IUPAC name of 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde (CID 121320866) is 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde?
The canonical SMILES for 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde is Cc1cc(C=O)nc2c1=CCC=2.
What is the InChIKey of 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde?
The InChIKey is DTJCUBZYGLOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-5-8(6-12)11-10-4-2-3-9(7)10/h3-6H,2H2,1H3.
What are the key properties of 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde?
4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde is sourced from PubChem (CID 121320866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).