3-(3-chloro-4-pyridinyl)morpholine

C9H11ClN2O — CID 55273452

IUPAC3-(3-chloro-4-pyridinyl)morpholine
SMILESClc1cnccc1C1COCCN1
InChIInChI=1S/C9H11ClN2O/c10-8-5-11-2-1-7(8)9-6-13-4-3-12-9/h1-2,5,9,12H,3-4,6H2
InChIKeyVJMWWKRTBXKIPS-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.40
Rot. Bonds1

About 3-(3-chloro-4-pyridinyl)morpholine

3-(3-chloro-4-pyridinyl)morpholine (PubChem CID 55273452) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)morpholine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)morpholine
PubChem CID55273452
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-(3-chloro-4-pyridinyl)morpholine
SMILESClc1cnccc1C1COCCN1
InChIInChI=1S/C9H11ClN2O/c10-8-5-11-2-1-7(8)9-6-13-4-3-12-9/h1-2,5,9,12H,3-4,6H2
InChIKeyVJMWWKRTBXKIPS-UHFFFAOYSA-N
XLogP1.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)morpholine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)morpholine (CID 55273452) is 3-(3-chloro-4-pyridinyl)morpholine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)morpholine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)morpholine is Clc1cnccc1C1COCCN1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)morpholine?
The InChIKey is VJMWWKRTBXKIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-5-11-2-1-7(8)9-6-13-4-3-12-9/h1-2,5,9,12H,3-4,6H2.
What are the key properties of 3-(3-chloro-4-pyridinyl)morpholine?
3-(3-chloro-4-pyridinyl)morpholine has a molecular weight of 198.65 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)morpholine is sourced from PubChem (CID 55273452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).