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

C9H10ClFN2O — CID 162439764

IUPAC4-(2-chloro-3-fluoro-4-pyridinyl)morpholine
SMILESFc1c(N2CCOCC2)ccnc1Cl
InChIInChI=1S/C9H10ClFN2O/c10-9-8(11)7(1-2-12-9)13-3-5-14-6-4-13/h1-2H,3-6H2
InChIKeyNTGJIDAQVIFQAY-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.71
Rot. Bonds1

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

4-(2-chloro-3-fluoro-4-pyridinyl)morpholine (PubChem CID 162439764) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-3-fluoro-4-pyridinyl)morpholine
PubChem CID162439764
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name4-(2-chloro-3-fluoro-4-pyridinyl)morpholine
SMILESFc1c(N2CCOCC2)ccnc1Cl
InChIInChI=1S/C9H10ClFN2O/c10-9-8(11)7(1-2-12-9)13-3-5-14-6-4-13/h1-2H,3-6H2
InChIKeyNTGJIDAQVIFQAY-UHFFFAOYSA-N
XLogP1.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Morpholinopyridine
CID 4145413
2-Chloro-3-fluoropyridin-4-amine
CID 60150289
4-(3-Bromopyridin-4-yl)morpholine
CID 66557862
4-(Morpholin-4-yl)pyridin-3-amine
CID 3060378
4-(2-Methylpyridin-4-yl)morpholine
CID 68185891
Morpholine, 4-(3-amino-4-pyridyl)-, dihydrochloride
CID 3060377
2-Chloro-4-(piperidin-1-yl)pyridine
CID 53217413
4-(6-Fluoropyridin-3-yl)morpholine
CID 124220231
2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate
CID 71816676
[4-(3-Chloro-4-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 71976877
3-Chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine
CID 71977828
4-(3-Chloro-4-pyridinyl)-1,4-oxazepane
CID 118740651

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine?
The IUPAC name of 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine (CID 162439764) is 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine.
What is the SMILES notation for 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine?
The canonical SMILES for 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine is Fc1c(N2CCOCC2)ccnc1Cl.
What is the InChIKey of 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine?
The InChIKey is NTGJIDAQVIFQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c10-9-8(11)7(1-2-12-9)13-3-5-14-6-4-13/h1-2H,3-6H2.
What are the key properties of 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine?
4-(2-chloro-3-fluoro-4-pyridinyl)morpholine has a molecular weight of 216.64 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluoro-4-pyridinyl)morpholine is sourced from PubChem (CID 162439764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).