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

C11H14FIN2O — CID 170774989

IUPAC(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nccc(I)c2F)C[C@H](C)O1
InChIInChI=1S/C11H14FIN2O/c1-7-5-15(6-8(2)16-7)11-10(12)9(13)3-4-14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyWOPLTGUNFCUCIO-OCAPTIKFSA-N
MW336.15 g/mol
LogP2.44
Rot. Bonds1

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

(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine (PubChem CID 170774989) has the molecular formula C11H14FIN2O and a molecular weight of 336.15 g/mol. Its IUPAC name is (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine
PubChem CID170774989
Molecular FormulaC11H14FIN2O
Molecular Weight336.15 g/mol
Exact Mass336.01
IUPAC Name(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nccc(I)c2F)C[C@H](C)O1
InChIInChI=1S/C11H14FIN2O/c1-7-5-15(6-8(2)16-7)11-10(12)9(13)3-4-14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyWOPLTGUNFCUCIO-OCAPTIKFSA-N
XLogP2.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390520
4-(2,6-dimethylmorpholin-4-yl)furo[3,2-c]pyridine
CID 123630821
(2S,6R)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2,6-dimethylmorpholine
CID 129240689
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964
(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774991
2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 24693283
4-(chloromethyl)-2-(3,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine
CID 105383656
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine
CID 104961834
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388790
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
CID 104958905
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 155974206

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine (CID 170774989) is (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2nccc(I)c2F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine?
The InChIKey is WOPLTGUNFCUCIO-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H14FIN2O/c1-7-5-15(6-8(2)16-7)11-10(12)9(13)3-4-14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine has a molecular weight of 336.15 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 170774989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).