4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine

C12H16Cl2N2O — CID 62890747

IUPAC4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-9-8-17-6-5-16(9)7-11-10(13)3-4-12(14)15-11/h3-4,9H,2,5-8H2,1H3
InChIKeyCYBLYXMFHAUILA-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.00
Rot. Bonds3

About 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine

4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine (PubChem CID 62890747) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine
PubChem CID62890747
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-9-8-17-6-5-16(9)7-11-10(13)3-4-12(14)15-11/h3-4,9H,2,5-8H2,1H3
InChIKeyCYBLYXMFHAUILA-UHFFFAOYSA-N
XLogP3.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine?
The IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine (CID 62890747) is 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine?
The canonical SMILES for 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine is CCC1COCCN1Cc1nc(Cl)ccc1Cl.
What is the InChIKey of 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine?
The InChIKey is CYBLYXMFHAUILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-9-8-17-6-5-16(9)7-11-10(13)3-4-12(14)15-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine?
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine has a molecular weight of 275.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine is sourced from PubChem (CID 62890747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).