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

C12H16Cl2N2O — CID 55127533

IUPAC4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nc(Cl)ccc2Cl)CC(C)O1
InChIInChI=1S/C12H16Cl2N2O/c1-8-5-16(6-9(2)17-8)7-11-10(13)3-4-12(14)15-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyNZQMKKKKRXMLMY-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.00
Rot. Bonds2

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

4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine (PubChem CID 55127533) 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]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine
PubChem CID55127533
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nc(Cl)ccc2Cl)CC(C)O1
InChIInChI=1S/C12H16Cl2N2O/c1-8-5-16(6-9(2)17-8)7-11-10(13)3-4-12(14)15-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyNZQMKKKKRXMLMY-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

(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 94889758
5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
CID 55152585
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine
CID 66371184
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64570103
4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine
CID 62893021
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
CID 102985057
4-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]morpholine
CID 63169707
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine
CID 62187399
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
4-chloro-3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 43169075

Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine (CID 55127533) is 4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2nc(Cl)ccc2Cl)CC(C)O1.
What is the InChIKey of 4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is NZQMKKKKRXMLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8-5-16(6-9(2)17-8)7-11-10(13)3-4-12(14)15-11/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine?
4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-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-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 55127533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).