4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane

C26H43FI2N6O4S — CID 157234853

IUPAC4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane
SMILESCO[C@@H](C)CN.CO[C@@H](C)CNc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1.S
InChIInChI=1S/C13H20IN3O2.C9H10FIN2O.C4H11NO.H2S/c1-10(18-2)9-15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(3-5)6-2;/h7-8,10H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;4H,3,5H2,1-2H3;1H2/t10-;;4-;/m0.0./s1
InChIKeyAUMZTQPLZBZHSC-WMQVPCAOSA-N
MW808.54 g/mol
LogP3.72
Rot. Bonds8

About 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane

4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane (PubChem CID 157234853) has the molecular formula C26H43FI2N6O4S and a molecular weight of 808.54 g/mol. Its IUPAC name is 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane.

Molecular Properties

Compound Name4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane
PubChem CID157234853
Molecular FormulaC26H43FI2N6O4S
Molecular Weight808.54 g/mol
Exact Mass808.11
IUPAC Name4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane
SMILESCO[C@@H](C)CN.CO[C@@H](C)CNc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1.S
InChIInChI=1S/C13H20IN3O2.C9H10FIN2O.C4H11NO.H2S/c1-10(18-2)9-15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(3-5)6-2;/h7-8,10H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;4H,3,5H2,1-2H3;1H2/t10-;;4-;/m0.0./s1
InChIKeyAUMZTQPLZBZHSC-WMQVPCAOSA-N
XLogP3.72
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500808.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane?
The IUPAC name of 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane (CID 157234853) is 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane.
What is the SMILES notation for 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane?
The canonical SMILES for 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane is CO[C@@H](C)CN.CO[C@@H](C)CNc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1.S.
What is the InChIKey of 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane?
The InChIKey is AUMZTQPLZBZHSC-WMQVPCAOSA-N. The full InChI is InChI=1S/C13H20IN3O2.C9H10FIN2O.C4H11NO.H2S/c1-10(18-2)9-15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(3-5)6-2;/h7-8,10H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;4H,3,5H2,1-2H3;1H2/t10-;;4-;/m0.0./s1.
What are the key properties of 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane?
4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane has a molecular weight of 808.54 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane is sourced from PubChem (CID 157234853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).