[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol

C10H12ClFN2O2 — CID 96546282

IUPAC[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol
SMILESOC[C@@H]1CN(c2ncc(Cl)cc2F)CCO1
InChIInChI=1S/C10H12ClFN2O2/c11-7-3-9(12)10(13-4-7)14-1-2-16-8(5-14)6-15/h3-4,8,15H,1-2,5-6H2/t8-/m0/s1
InChIKeyLGSHGFVEFHWXQL-QMMMGPOBSA-N
MW246.67 g/mol
LogP1.07
Rot. Bonds2

About [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol

[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol (PubChem CID 96546282) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol
PubChem CID96546282
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol
SMILESOC[C@@H]1CN(c2ncc(Cl)cc2F)CCO1
InChIInChI=1S/C10H12ClFN2O2/c11-7-3-9(12)10(13-4-7)14-1-2-16-8(5-14)6-15/h3-4,8,15H,1-2,5-6H2/t8-/m0/s1
InChIKeyLGSHGFVEFHWXQL-QMMMGPOBSA-N
XLogP1.07
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol?
The IUPAC name of [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol (CID 96546282) is [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol?
The canonical SMILES for [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol is OC[C@@H]1CN(c2ncc(Cl)cc2F)CCO1.
What is the InChIKey of [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol?
The InChIKey is LGSHGFVEFHWXQL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c11-7-3-9(12)10(13-4-7)14-1-2-16-8(5-14)6-15/h3-4,8,15H,1-2,5-6H2/t8-/m0/s1.
What are the key properties of [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol?
[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol has a molecular weight of 246.67 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol is sourced from PubChem (CID 96546282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).