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

C11H12ClFN2O — CID 90089780

IUPAC1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol
SMILESC=C(O)c1ccc(N2CC[C@H](F)C2)nc1Cl
InChIInChI=1S/C11H12ClFN2O/c1-7(16)9-2-3-10(14-11(9)12)15-5-4-8(13)6-15/h2-3,8,16H,1,4-6H2/t8-/m0/s1
InChIKeyLYCSXBRXVXGZRM-QMMMGPOBSA-N
MW242.68 g/mol
LogP2.81
Rot. Bonds2

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

1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol (PubChem CID 90089780) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol.

Molecular Properties

Compound Name1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol
PubChem CID90089780
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol
SMILESC=C(O)c1ccc(N2CC[C@H](F)C2)nc1Cl
InChIInChI=1S/C11H12ClFN2O/c1-7(16)9-2-3-10(14-11(9)12)15-5-4-8(13)6-15/h2-3,8,16H,1,4-6H2/t8-/m0/s1
InChIKeyLYCSXBRXVXGZRM-QMMMGPOBSA-N
XLogP2.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol?
The IUPAC name of 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol (CID 90089780) is 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol.
What is the SMILES notation for 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol?
The canonical SMILES for 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol is C=C(O)c1ccc(N2CC[C@H](F)C2)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol?
The InChIKey is LYCSXBRXVXGZRM-QMMMGPOBSA-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/h2-3,8,16H,1,4-6H2/t8-/m0/s1.
What are the key properties of 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol?
1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol has a molecular weight of 242.68 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]ethenol is sourced from PubChem (CID 90089780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).