4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde

C11H12FNO — CID 156861893

IUPAC4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde
SMILESCc1nc(C)c2c(c1F)CC(C=O)C2
InChIInChI=1S/C11H12FNO/c1-6-9-3-8(5-14)4-10(9)11(12)7(2)13-6/h5,8H,3-4H2,1-2H3
InChIKeySNKPIPMRDQLIDP-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.75
Rot. Bonds1

About 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde

4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde (PubChem CID 156861893) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde
PubChem CID156861893
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde
SMILESCc1nc(C)c2c(c1F)CC(C=O)C2
InChIInChI=1S/C11H12FNO/c1-6-9-3-8(5-14)4-10(9)11(12)7(2)13-6/h5,8H,3-4H2,1-2H3
InChIKeySNKPIPMRDQLIDP-UHFFFAOYSA-N
XLogP1.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.75
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-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde?
The IUPAC name of 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde (CID 156861893) is 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde.
What is the SMILES notation for 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde?
The canonical SMILES for 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde is Cc1nc(C)c2c(c1F)CC(C=O)C2.
What is the InChIKey of 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde?
The InChIKey is SNKPIPMRDQLIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-6-9-3-8(5-14)4-10(9)11(12)7(2)13-6/h5,8H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde?
4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde is sourced from PubChem (CID 156861893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).