4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile

C12H10BrFN2O2 — CID 78945835

IUPAC4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc(Br)ccc2F)CCO1
InChIInChI=1S/C12H10BrFN2O2/c13-8-1-2-11(14)10(5-8)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2
InChIKeyAXFOXTSBEHNOGY-UHFFFAOYSA-N
MW313.13 g/mol
LogP1.95
Rot. Bonds1

About 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile

4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile (PubChem CID 78945835) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
PubChem CID78945835
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc(Br)ccc2F)CCO1
InChIInChI=1S/C12H10BrFN2O2/c13-8-1-2-11(14)10(5-8)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2
InChIKeyAXFOXTSBEHNOGY-UHFFFAOYSA-N
XLogP1.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-(2-fluoro-4-methylbenzoyl)morpholine-2-carbonitrile
CID 71977681
4-(2,4,5-trifluoro-3-hydroxybenzoyl)morpholine-2-carbonitrile
CID 79674344
4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
CID 78945949
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
CID 82814599
4-(2,4-dihydroxybenzoyl)morpholine-2-carbonitrile
CID 103892457
4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
CID 79676191
4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
CID 79675907
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile (CID 78945835) is 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cc(Br)ccc2F)CCO1.
What is the InChIKey of 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile?
The InChIKey is AXFOXTSBEHNOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c13-8-1-2-11(14)10(5-8)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2.
What are the key properties of 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile?
4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile has a molecular weight of 313.13 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).