(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine

C9H10F2N2O — CID 130648555

IUPAC(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine
SMILESFc1ccc(F)c([C@H]2COCCN2)n1
InChIInChI=1S/C9H10F2N2O/c10-6-1-2-8(11)13-9(6)7-5-14-4-3-12-7/h1-2,7,12H,3-5H2/t7-/m1/s1
InChIKeyBOESHWSCSFXHIM-SSDOTTSWSA-N
MW200.19 g/mol
LogP1.02
Rot. Bonds1

About (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine

(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine (PubChem CID 130648555) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine
PubChem CID130648555
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine
SMILESFc1ccc(F)c([C@H]2COCCN2)n1
InChIInChI=1S/C9H10F2N2O/c10-6-1-2-8(11)13-9(6)7-5-14-4-3-12-7/h1-2,7,12H,3-5H2/t7-/m1/s1
InChIKeyBOESHWSCSFXHIM-SSDOTTSWSA-N
XLogP1.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-fluoro-2-pyridinyl)morpholine
CID 55282502
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
3-(3-fluoro-4-pyridinyl)morpholine
CID 55282870
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine
CID 83439762
(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine?
The IUPAC name of (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine (CID 130648555) is (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine.
What is the SMILES notation for (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine?
The canonical SMILES for (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine is Fc1ccc(F)c([C@H]2COCCN2)n1.
What is the InChIKey of (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine?
The InChIKey is BOESHWSCSFXHIM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-6-1-2-8(11)13-9(6)7-5-14-4-3-12-7/h1-2,7,12H,3-5H2/t7-/m1/s1.
What are the key properties of (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine?
(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine has a molecular weight of 200.19 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine is sourced from PubChem (CID 130648555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).