4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine

C10H12F2N2O — CID 163829398

IUPAC4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine
SMILESCc1cc(F)nc(N2CCOCC2)c1F
InChIInChI=1S/C10H12F2N2O/c1-7-6-8(11)13-10(9(7)12)14-2-4-15-5-3-14/h6H,2-5H2,1H3
InChIKeyOCJHUNQOZQURHX-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.50
Rot. Bonds1

About 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine

4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine (PubChem CID 163829398) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine
PubChem CID163829398
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine
SMILESCc1cc(F)nc(N2CCOCC2)c1F
InChIInChI=1S/C10H12F2N2O/c1-7-6-8(11)13-10(9(7)12)14-2-4-15-5-3-14/h6H,2-5H2,1H3
InChIKeyOCJHUNQOZQURHX-UHFFFAOYSA-N
XLogP1.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.50
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-difluoro-4-methyl-2-pyridinyl)morpholine?
The IUPAC name of 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine (CID 163829398) is 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine?
The canonical SMILES for 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine is Cc1cc(F)nc(N2CCOCC2)c1F.
What is the InChIKey of 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine?
The InChIKey is OCJHUNQOZQURHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-7-6-8(11)13-10(9(7)12)14-2-4-15-5-3-14/h6H,2-5H2,1H3.
What are the key properties of 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine?
4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine has a molecular weight of 214.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-difluoro-4-methyl-2-pyridinyl)morpholine is sourced from PubChem (CID 163829398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).