4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile

C11H9FN2O — CID 156862933

IUPAC4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile
SMILESCc1nc(C#N)c2c(c1F)CC(C=O)C2
InChIInChI=1S/C11H9FN2O/c1-6-11(12)9-3-7(5-15)2-8(9)10(4-13)14-6/h5,7H,2-3H2,1H3
InChIKeyYEHPHDJIIGJGJV-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.31
Rot. Bonds1

About 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile

4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile (PubChem CID 156862933) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile.

Molecular Properties

Compound Name4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile
PubChem CID156862933
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile
SMILESCc1nc(C#N)c2c(c1F)CC(C=O)C2
InChIInChI=1S/C11H9FN2O/c1-6-11(12)9-3-7(5-15)2-8(9)10(4-13)14-6/h5,7H,2-3H2,1H3
InChIKeyYEHPHDJIIGJGJV-UHFFFAOYSA-N
XLogP1.31
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde
CID 156861893
3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
CID 156862159
3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile
CID 167515078
5-amino-6-methylpyrazine-2,3-dicarbonitrile
CID 71440315
4-chloro-3-fluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbaldehyde
CID 156862120
5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile
CID 58851982
5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile
CID 118653036
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
(1S,8R)-4,5-dicyano-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylic acid
CID 23309784
4,5,10,11-tetramethyl-19-(2,3,4,5,6-pentafluorophenyl)-3,6,9,12,15,17,20,22-octazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene-18-carbonitrile
CID 170253127
4-(5,7-dimethyl-1,4-dioxepan-6-yl)-3,5-difluoropyridine-2,6-dicarbonitrile
CID 170067132
2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114770482

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile?
The IUPAC name of 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile (CID 156862933) is 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile.
What is the SMILES notation for 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile?
The canonical SMILES for 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile is Cc1nc(C#N)c2c(c1F)CC(C=O)C2.
What is the InChIKey of 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile?
The InChIKey is YEHPHDJIIGJGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-6-11(12)9-3-7(5-15)2-8(9)10(4-13)14-6/h5,7H,2-3H2,1H3.
What are the key properties of 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile?
4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile has a molecular weight of 204.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile is sourced from PubChem (CID 156862933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).