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

C9H7ClFNO — CID 156862120

IUPAC4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
SMILESO=CC1Cc2ncc(F)c(Cl)c2C1
InChIInChI=1S/C9H7ClFNO/c10-9-6-1-5(4-13)2-8(6)12-3-7(9)11/h3-5H,1-2H2
InChIKeyIXFCKSVCTKPLRD-UHFFFAOYSA-N
MW199.61 g/mol
LogP1.79
Rot. Bonds1

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

4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde (PubChem CID 156862120) has the molecular formula C9H7ClFNO and a molecular weight of 199.61 g/mol. Its IUPAC name is 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
PubChem CID156862120
Molecular FormulaC9H7ClFNO
Molecular Weight199.61 g/mol
Exact Mass199.02
IUPAC Name4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
SMILESO=CC1Cc2ncc(F)c(Cl)c2C1
InChIInChI=1S/C9H7ClFNO/c10-9-6-1-5(4-13)2-8(6)12-3-7(9)11/h3-5H,1-2H2
InChIKeyIXFCKSVCTKPLRD-UHFFFAOYSA-N
XLogP1.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
CID 156862159
4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde
CID 156861893
1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde
CID 112676509
1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
CID 153366942
4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile
CID 156862933
2-chloro-5-fluoropyrimidine-4-carbaldehyde
CID 171934886
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbaldehyde
CID 170357825
5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 164523445
(3S)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbaldehyde
CID 97182063
ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
CID 156862452
5-[(2-chloro-5-fluoro-4-pyridinyl)imino]-2-methoxycyclohex-3-ene-1-carbaldehyde
CID 91495852
1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde
CID 158019694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The IUPAC name of 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde (CID 156862120) is 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde.
What is the SMILES notation for 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The canonical SMILES for 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde is O=CC1Cc2ncc(F)c(Cl)c2C1.
What is the InChIKey of 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The InChIKey is IXFCKSVCTKPLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO/c10-9-6-1-5(4-13)2-8(6)12-3-7(9)11/h3-5H,1-2H2.
What are the key properties of 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde?
4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde has a molecular weight of 199.61 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde is sourced from PubChem (CID 156862120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).