N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide

C11H11ClF3N3O2 — CID 134122682

IUPACN-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cnc(Cl)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C11H11ClF3N3O2/c12-9-8(11(13,14)15)5-7(6-16-9)17-10(19)18-1-3-20-4-2-18/h5-6H,1-4H2,(H,17,19)
InChIKeyOMFIFPBLASTBSS-UHFFFAOYSA-N
MW309.68 g/mol
LogP2.62
Rot. Bonds1

About N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide

N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 134122682) has the molecular formula C11H11ClF3N3O2 and a molecular weight of 309.68 g/mol. Its IUPAC name is N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
PubChem CID134122682
Molecular FormulaC11H11ClF3N3O2
Molecular Weight309.68 g/mol
Exact Mass309.05
IUPAC NameN-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cnc(Cl)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C11H11ClF3N3O2/c12-9-8(11(13,14)15)5-7(6-16-9)17-10(19)18-1-3-20-4-2-18/h5-6H,1-4H2,(H,17,19)
InChIKeyOMFIFPBLASTBSS-UHFFFAOYSA-N
XLogP2.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazo[4,5-b]pyridin-6-yl)morpholine-4-carboxamide
CID 110869772
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
N-(5-fluoro-3-pyridinyl)morpholine-4-carboxamide
CID 110872339
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 91969033
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide
CID 20744409
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide (CID 134122682) is N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide is O=C(Nc1cnc(Cl)c(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is OMFIFPBLASTBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O2/c12-9-8(11(13,14)15)5-7(6-16-9)17-10(19)18-1-3-20-4-2-18/h5-6H,1-4H2,(H,17,19).
What are the key properties of N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 309.68 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 134122682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).