3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone

C12H12FNO — CID 141178396

IUPAC3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CC=CCC1
InChIInChI=1S/C12H12FNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,4-6,9H,3,7-8H2
InChIKeyVUZAKPNLYXUCLS-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.23
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone

3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone (PubChem CID 141178396) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
PubChem CID141178396
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CC=CCC1
InChIInChI=1S/C12H12FNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,4-6,9H,3,7-8H2
InChIKeyVUZAKPNLYXUCLS-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 114412273
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178418
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407102
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(3-fluorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545753
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone (CID 141178396) is 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone?
The InChIKey is VUZAKPNLYXUCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,4-6,9H,3,7-8H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone?
3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone has a molecular weight of 205.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone is sourced from PubChem (CID 141178396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).