4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine

C11H15ClN2O — CID 62255022

IUPAC4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine
SMILESCC1COCCN1c1cccc(CCl)n1
InChIInChI=1S/C11H15ClN2O/c1-9-8-15-6-5-14(9)11-4-2-3-10(7-12)13-11/h2-4,9H,5-8H2,1H3
InChIKeyBVSVNZBHBCCLPK-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.05
Rot. Bonds2

About 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine

4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine (PubChem CID 62255022) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine
PubChem CID62255022
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine
SMILESCC1COCCN1c1cccc(CCl)n1
InChIInChI=1S/C11H15ClN2O/c1-9-8-15-6-5-14(9)11-4-2-3-10(7-12)13-11/h2-4,9H,5-8H2,1H3
InChIKeyBVSVNZBHBCCLPK-UHFFFAOYSA-N
XLogP2.05
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine
CID 66467326
N-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62280987
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
6-(3-methylmorpholin-4-yl)pyridine-2-sulfonamide
CID 154940920
4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine
CID 62254126
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
4-[6-(chloromethyl)-2-pyridinyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62255717
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine
CID 79184553
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
[2-chloro-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methyl-phenylsulfanium
CID 143742143

Frequently Asked Questions

What is the IUPAC name of 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine (CID 62255022) is 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine is CC1COCCN1c1cccc(CCl)n1.
What is the InChIKey of 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine?
The InChIKey is BVSVNZBHBCCLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-9-8-15-6-5-14(9)11-4-2-3-10(7-12)13-11/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine?
4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine has a molecular weight of 226.71 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 62255022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).