3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde

C10H10FNO — CID 156862159

IUPAC3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
SMILESCc1c(F)cnc2c1CC(C=O)C2
InChIInChI=1S/C10H10FNO/c1-6-8-2-7(5-13)3-10(8)12-4-9(6)11/h4-5,7H,2-3H2,1H3
InChIKeyZHQMVFDIMTYBHY-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.44
Rot. Bonds1

About 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde

3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde (PubChem CID 156862159) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
PubChem CID156862159
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
SMILESCc1c(F)cnc2c1CC(C=O)C2
InChIInChI=1S/C10H10FNO/c1-6-8-2-7(5-13)3-10(8)12-4-9(6)11/h4-5,7H,2-3H2,1H3
InChIKeyZHQMVFDIMTYBHY-UHFFFAOYSA-N
XLogP1.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.44
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 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The IUPAC name of 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde (CID 156862159) is 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The canonical SMILES for 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde is Cc1c(F)cnc2c1CC(C=O)C2.
What is the InChIKey of 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The InChIKey is ZHQMVFDIMTYBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6-8-2-7(5-13)3-10(8)12-4-9(6)11/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde?
3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde has a molecular weight of 179.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde is sourced from PubChem (CID 156862159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).