1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone

C11H12ClFN2O — CID 123690309

IUPAC1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(F)C2)nc1Cl
InChIInChI=1S/C11H12ClFN2O/c1-7(16)9-2-3-10(14-11(9)12)15-5-4-8(13)6-15/h2-3,8H,4-6H2,1H3
InChIKeyGQEFTHKALJWAHV-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.49
Rot. Bonds2

About 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone

1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 123690309) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
PubChem CID123690309
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(F)C2)nc1Cl
InChIInChI=1S/C11H12ClFN2O/c1-7(16)9-2-3-10(14-11(9)12)15-5-4-8(13)6-15/h2-3,8H,4-6H2,1H3
InChIKeyGQEFTHKALJWAHV-UHFFFAOYSA-N
XLogP2.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone 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

6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
1-[2-chloro-6-(4-piperidin-4-ylsulfanylpiperidin-1-yl)-3-pyridinyl]propan-1-one
CID 159918880
2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane
CID 142321263
3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 61224854
2-(3-fluoropyrrolidin-1-yl)-6-propan-2-ylpyridine
CID 129154786
1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
2-chloro-N,N-dimethyl-6-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 129146151
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
CID 112625893
(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 172646099
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048451
N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 166749982
(5-bromo-2-chloro-6-methyl-3-pyridinyl)-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 138013349

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone (CID 123690309) is 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CCC(F)C2)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is GQEFTHKALJWAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c1-7(16)9-2-3-10(14-11(9)12)15-5-4-8(13)6-15/h2-3,8H,4-6H2,1H3.
What are the key properties of 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone?
1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 242.68 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 123690309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).