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

C10H12Cl2N2O — CID 81209519

IUPAC2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
SMILESClCC1CN(c2ccncc2Cl)CCO1
InChIInChI=1S/C10H12Cl2N2O/c11-5-8-7-14(3-4-15-8)10-1-2-13-6-9(10)12/h1-2,6,8H,3-5,7H2
InChIKeyQBTXLNOZLKVJMY-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.18
Rot. Bonds2

About 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine

2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine (PubChem CID 81209519) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
PubChem CID81209519
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
SMILESClCC1CN(c2ccncc2Cl)CCO1
InChIInChI=1S/C10H12Cl2N2O/c11-5-8-7-14(3-4-15-8)10-1-2-13-6-9(10)12/h1-2,6,8H,3-5,7H2
InChIKeyQBTXLNOZLKVJMY-UHFFFAOYSA-N
XLogP2.18
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.18
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

2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine
CID 81211136
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
3-chloro-4-(3-methylazetidin-1-yl)pyridine
CID 142532055
N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 81246777
[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
CID 114399426
4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
CID 80674261
2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine
CID 81209522
(2R)-2-(3,4-dichlorophenyl)-4-(3-fluoro-4-pyridinyl)morpholine
CID 95562855
2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine
CID 104734139
1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine
CID 81460923
[4-(7-chloroquinolin-4-yl)morpholin-2-yl]methanol
CID 79839533
(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine
CID 26403575

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine (CID 81209519) is 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine is ClCC1CN(c2ccncc2Cl)CCO1.
What is the InChIKey of 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine?
The InChIKey is QBTXLNOZLKVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c11-5-8-7-14(3-4-15-8)10-1-2-13-6-9(10)12/h1-2,6,8H,3-5,7H2.
What are the key properties of 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine?
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine has a molecular weight of 247.12 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine is sourced from PubChem (CID 81209519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).