(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine

C11H14ClFN2O — CID 170774991

IUPAC(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(Cl)ccc2F)C[C@H](C)O1
InChIInChI=1S/C11H14ClFN2O/c1-7-5-15(6-8(2)16-7)11-9(13)3-4-10(12)14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyATIOJBNSUBCFJE-OCAPTIKFSA-N
MW244.70 g/mol
LogP2.49
Rot. Bonds1

About (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine

(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine (PubChem CID 170774991) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
PubChem CID170774991
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(Cl)ccc2F)C[C@H](C)O1
InChIInChI=1S/C11H14ClFN2O/c1-7-5-15(6-8(2)16-7)11-9(13)3-4-10(12)14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyATIOJBNSUBCFJE-OCAPTIKFSA-N
XLogP2.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
CID 176666417
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine
CID 104959790
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine
CID 104961834
(2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine
CID 118224184
(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 1181449
[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933958
(2S,6R)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2,6-dimethylmorpholine
CID 129240689
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 55127533
(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774989

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine (CID 170774991) is (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2nc(Cl)ccc2F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine?
The InChIKey is ATIOJBNSUBCFJE-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7-5-15(6-8(2)16-7)11-9(13)3-4-10(12)14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine has a molecular weight of 244.70 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 170774991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).