4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine

C11H12IN3O — CID 164544537

IUPAC4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
SMILESIc1c[nH]c2nc(N3CCOCC3)ccc12
InChIInChI=1S/C11H12IN3O/c12-9-7-13-11-8(9)1-2-10(14-11)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,13,14)
InChIKeyRGVOHOLJIHXHQE-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.00
Rot. Bonds1

About 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine

4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine (PubChem CID 164544537) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine.

Molecular Properties

Compound Name4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
PubChem CID164544537
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
SMILESIc1c[nH]c2nc(N3CCOCC3)ccc12
InChIInChI=1S/C11H12IN3O/c12-9-7-13-11-8(9)1-2-10(14-11)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,13,14)
InChIKeyRGVOHOLJIHXHQE-UHFFFAOYSA-N
XLogP2.00
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-iodo-2H-pyrazolo[3,4-b]pyridin-6-yl)morpholine;methyl 6-morpholin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 162116947
4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
CID 176548594
5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one
CID 5481691
N-methyl-3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 134292871
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700
2-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 118234472
4-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 131724211
4-[(2S,4R)-2-methylpiperidin-4-yl]-6-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175935616
4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459
6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine
CID 142517931
6-chloro-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 133385294

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The IUPAC name of 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine (CID 164544537) is 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine.
What is the SMILES notation for 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The canonical SMILES for 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine is Ic1c[nH]c2nc(N3CCOCC3)ccc12.
What is the InChIKey of 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The InChIKey is RGVOHOLJIHXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c12-9-7-13-11-8(9)1-2-10(14-11)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,13,14).
What are the key properties of 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine has a molecular weight of 329.14 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine is sourced from PubChem (CID 164544537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).