methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate

C13H16Cl2N2O3 — CID 104969525

IUPACmethyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(Cl)nc2Cl)CCO1
InChIInChI=1S/C13H16Cl2N2O3/c1-19-12(18)6-10-8-17(4-5-20-10)7-9-2-3-11(14)16-13(9)15/h2-3,10H,4-8H2,1H3
InChIKeyVWFPADVQCCJAOU-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.15
Rot. Bonds4

About methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate

methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate (PubChem CID 104969525) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
PubChem CID104969525
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Namemethyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(Cl)nc2Cl)CCO1
InChIInChI=1S/C13H16Cl2N2O3/c1-19-12(18)6-10-8-17(4-5-20-10)7-9-2-3-11(14)16-13(9)15/h2-3,10H,4-8H2,1H3
InChIKeyVWFPADVQCCJAOU-UHFFFAOYSA-N
XLogP2.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[4-[(4-cyano-2-methylphenyl)methyl]morpholin-2-yl]acetate
CID 114485245
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
CID 106993855
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate
CID 79823058
methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 79827334
methyl 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetate
CID 79822612
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate
CID 71861742
methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholin-2-yl]acetate
CID 84587348

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate (CID 104969525) is methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2ccc(Cl)nc2Cl)CCO1.
What is the InChIKey of methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate?
The InChIKey is VWFPADVQCCJAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-19-12(18)6-10-8-17(4-5-20-10)7-9-2-3-11(14)16-13(9)15/h2-3,10H,4-8H2,1H3.
What are the key properties of methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate has a molecular weight of 319.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 104969525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).