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

C12H16Cl2N2O — CID 106993529

IUPAC4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2ccc(Cl)nc2Cl)CCO1
InChIInChI=1S/C12H16Cl2N2O/c1-12(2)8-16(5-6-17-12)7-9-3-4-10(13)15-11(9)14/h3-4H,5-8H2,1-2H3
InChIKeyLQFFANQATXQKFH-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.00
Rot. Bonds2

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

4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine (PubChem CID 106993529) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine
PubChem CID106993529
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2ccc(Cl)nc2Cl)CCO1
InChIInChI=1S/C12H16Cl2N2O/c1-12(2)8-16(5-6-17-12)7-9-3-4-10(13)15-11(9)14/h3-4H,5-8H2,1-2H3
InChIKeyLQFFANQATXQKFH-UHFFFAOYSA-N
XLogP3.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
CID 106993855
[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970678
3-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666835
5-[(2,2-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62184542
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
5-chloro-6-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
CID 62891488
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
CID 106993424
2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine
CID 37403956
1-[4-[(2,6-dichloro-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 106993660
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 103947549
4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976791

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine (CID 106993529) is 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine is CC1(C)CN(Cc2ccc(Cl)nc2Cl)CCO1.
What is the InChIKey of 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine?
The InChIKey is LQFFANQATXQKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-12(2)8-16(5-6-17-12)7-9-3-4-10(13)15-11(9)14/h3-4H,5-8H2,1-2H3.
What are the key properties of 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine?
4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine has a molecular weight of 275.18 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 106993529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).