4-(6-chloro-3-iodopyrazin-2-yl)morpholine

C8H9ClIN3O — CID 165356549

IUPAC4-(6-chloro-3-iodopyrazin-2-yl)morpholine
SMILESClc1cnc(I)c(N2CCOCC2)n1
InChIInChI=1S/C8H9ClIN3O/c9-6-5-11-7(10)8(12-6)13-1-3-14-4-2-13/h5H,1-4H2
InChIKeyVKQOVSCJLMUMQJ-UHFFFAOYSA-N
MW325.54 g/mol
LogP1.57
Rot. Bonds1

About 4-(6-chloro-3-iodopyrazin-2-yl)morpholine

4-(6-chloro-3-iodopyrazin-2-yl)morpholine (PubChem CID 165356549) has the molecular formula C8H9ClIN3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 4-(6-chloro-3-iodopyrazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-chloro-3-iodopyrazin-2-yl)morpholine
PubChem CID165356549
Molecular FormulaC8H9ClIN3O
Molecular Weight325.54 g/mol
Exact Mass324.95
IUPAC Name4-(6-chloro-3-iodopyrazin-2-yl)morpholine
SMILESClc1cnc(I)c(N2CCOCC2)n1
InChIInChI=1S/C8H9ClIN3O/c9-6-5-11-7(10)8(12-6)13-1-3-14-4-2-13/h5H,1-4H2
InChIKeyVKQOVSCJLMUMQJ-UHFFFAOYSA-N
XLogP1.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-iodo-2-morpholin-4-ylpyridin-4-amine
CID 162736276
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
CID 71407698
4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine
CID 138049511
5-chloro-2-morpholin-4-ylpyridin-3-amine
CID 80503744
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
4-(5-bromo-2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 79073002
5-chloro-6-morpholin-4-ylpyridin-3-amine;hydron
CID 69345402
4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine
CID 156768683
4-[3-chloro-5-(chloromethyl)-2-pyridinyl]-1,4-oxazepane
CID 62972939
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
(5-bromo-3-morpholin-4-ylpyrazin-2-yl)hydrazine
CID 89417145

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-iodopyrazin-2-yl)morpholine?
The IUPAC name of 4-(6-chloro-3-iodopyrazin-2-yl)morpholine (CID 165356549) is 4-(6-chloro-3-iodopyrazin-2-yl)morpholine.
What is the SMILES notation for 4-(6-chloro-3-iodopyrazin-2-yl)morpholine?
The canonical SMILES for 4-(6-chloro-3-iodopyrazin-2-yl)morpholine is Clc1cnc(I)c(N2CCOCC2)n1.
What is the InChIKey of 4-(6-chloro-3-iodopyrazin-2-yl)morpholine?
The InChIKey is VKQOVSCJLMUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClIN3O/c9-6-5-11-7(10)8(12-6)13-1-3-14-4-2-13/h5H,1-4H2.
What are the key properties of 4-(6-chloro-3-iodopyrazin-2-yl)morpholine?
4-(6-chloro-3-iodopyrazin-2-yl)morpholine has a molecular weight of 325.54 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-iodopyrazin-2-yl)morpholine is sourced from PubChem (CID 165356549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).