(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol

C12H17IN2O3 — CID 155160945

IUPAC(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol
SMILESC[C@H](CO)Oc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C12H17IN2O3/c1-9(8-16)18-12-7-10(13)6-11(14-12)15-2-4-17-5-3-15/h6-7,9,16H,2-5,8H2,1H3/t9-/m1/s1
InChIKeyGVAKKHSTOMSKEQ-SECBINFHSA-N
MW364.18 g/mol
LogP1.28
Rot. Bonds4

About (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol

(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol (PubChem CID 155160945) has the molecular formula C12H17IN2O3 and a molecular weight of 364.18 g/mol. Its IUPAC name is (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol
PubChem CID155160945
Molecular FormulaC12H17IN2O3
Molecular Weight364.18 g/mol
Exact Mass364.03
IUPAC Name(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol
SMILESC[C@H](CO)Oc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C12H17IN2O3/c1-9(8-16)18-12-7-10(13)6-11(14-12)15-2-4-17-5-3-15/h6-7,9,16H,2-5,8H2,1H3/t9-/m1/s1
InChIKeyGVAKKHSTOMSKEQ-SECBINFHSA-N
XLogP1.28
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-2-ol
CID 155160455
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
CID 162764791
N-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-2,2-dimethylpropanamide
CID 91465686
tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane
CID 162691503
4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine
CID 59292396
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
2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine
CID 164996210
4-[4-methyl-6-(1-methylazetidin-3-yl)oxy-2-pyridinyl]morpholine
CID 155160970
N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine
CID 158649137
(2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol
CID 166768642
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
(2-morpholin-4-yl-6-propyl-4-pyridinyl)methanol
CID 113380426

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol?
The IUPAC name of (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol (CID 155160945) is (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol?
The canonical SMILES for (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol is C[C@H](CO)Oc1cc(I)cc(N2CCOCC2)n1.
What is the InChIKey of (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol?
The InChIKey is GVAKKHSTOMSKEQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17IN2O3/c1-9(8-16)18-12-7-10(13)6-11(14-12)15-2-4-17-5-3-15/h6-7,9,16H,2-5,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol?
(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol has a molecular weight of 364.18 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol is sourced from PubChem (CID 155160945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).