4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine

C12H16Cl2N2O — CID 114920876

IUPAC4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
SMILESCCC1COCCN1c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C12H16Cl2N2O/c1-2-10-8-17-4-3-16(10)12-5-9(6-13)11(14)7-15-12/h5,7,10H,2-4,6,8H2,1H3
InChIKeyJYTAHMSXJFLZCY-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.09
Rot. Bonds3

About 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine

4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine (PubChem CID 114920876) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
PubChem CID114920876
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
SMILESCCC1COCCN1c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C12H16Cl2N2O/c1-2-10-8-17-4-3-16(10)12-5-9(6-13)11(14)7-15-12/h5,7,10H,2-4,6,8H2,1H3
InChIKeyJYTAHMSXJFLZCY-UHFFFAOYSA-N
XLogP3.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine?
The IUPAC name of 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine (CID 114920876) is 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine?
The canonical SMILES for 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine is CCC1COCCN1c1cc(CCl)c(Cl)cn1.
What is the InChIKey of 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine?
The InChIKey is JYTAHMSXJFLZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-10-8-17-4-3-16(10)12-5-9(6-13)11(14)7-15-12/h5,7,10H,2-4,6,8H2,1H3.
What are the key properties of 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine?
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine has a molecular weight of 275.18 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine is sourced from PubChem (CID 114920876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).