5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine

C11H13ClFNO2 — CID 164635861

IUPAC5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine
SMILESFc1cc(Cl)cnc1OC[C@H]1CCCOC1
InChIInChI=1S/C11H13ClFNO2/c12-9-4-10(13)11(14-5-9)16-7-8-2-1-3-15-6-8/h4-5,8H,1-3,6-7H2/t8-/m0/s1
InChIKeyWKCBYSSEGWLGOU-QMMMGPOBSA-N
MW245.68 g/mol
LogP2.68
Rot. Bonds3

About 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine

5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine (PubChem CID 164635861) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine
PubChem CID164635861
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine
SMILESFc1cc(Cl)cnc1OC[C@H]1CCCOC1
InChIInChI=1S/C11H13ClFNO2/c12-9-4-10(13)11(14-5-9)16-7-8-2-1-3-15-6-8/h4-5,8H,1-3,6-7H2/t8-/m0/s1
InChIKeyWKCBYSSEGWLGOU-QMMMGPOBSA-N
XLogP2.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine (CID 164635861) is 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine is Fc1cc(Cl)cnc1OC[C@H]1CCCOC1.
What is the InChIKey of 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine?
The InChIKey is WKCBYSSEGWLGOU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c12-9-4-10(13)11(14-5-9)16-7-8-2-1-3-15-6-8/h4-5,8H,1-3,6-7H2/t8-/m0/s1.
What are the key properties of 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine?
5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine has a molecular weight of 245.68 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-[[(3S)-oxan-3-yl]methoxy]pyridine is sourced from PubChem (CID 164635861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).