6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine

C9H9ClFNO — CID 176675293

IUPAC6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine
SMILESFc1nc(Cl)ccc1[C@@H]1CCCO1
InChIInChI=1S/C9H9ClFNO/c10-8-4-3-6(9(11)12-8)7-2-1-5-13-7/h3-4,7H,1-2,5H2/t7-/m0/s1
InChIKeyDBKFCKKWQPKWSB-ZETCQYMHSA-N
MW201.63 g/mol
LogP2.73
Rot. Bonds1

About 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine

6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine (PubChem CID 176675293) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine
PubChem CID176675293
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine
SMILESFc1nc(Cl)ccc1[C@@H]1CCCO1
InChIInChI=1S/C9H9ClFNO/c10-8-4-3-6(9(11)12-8)7-2-1-5-13-7/h3-4,7H,1-2,5H2/t7-/m0/s1
InChIKeyDBKFCKKWQPKWSB-ZETCQYMHSA-N
XLogP2.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine (CID 176675293) is 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine is Fc1nc(Cl)ccc1[C@@H]1CCCO1.
What is the InChIKey of 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine?
The InChIKey is DBKFCKKWQPKWSB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-8-4-3-6(9(11)12-8)7-2-1-5-13-7/h3-4,7H,1-2,5H2/t7-/m0/s1.
What are the key properties of 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine?
6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine has a molecular weight of 201.63 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-[(2S)-oxolan-2-yl]pyridine is sourced from PubChem (CID 176675293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).