4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile

C10H9BrFN3O — CID 104924211

IUPAC4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ncc(Br)cc2F)CCO1
InChIInChI=1S/C10H9BrFN3O/c11-7-3-9(12)10(14-5-7)15-1-2-16-8(4-13)6-15/h3,5,8H,1-2,6H2
InChIKeyBQUGGVZLRGQSMJ-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.71
Rot. Bonds1

About 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile

4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile (PubChem CID 104924211) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile
PubChem CID104924211
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ncc(Br)cc2F)CCO1
InChIInChI=1S/C10H9BrFN3O/c11-7-3-9(12)10(14-5-7)15-1-2-16-8(4-13)6-15/h3,5,8H,1-2,6H2
InChIKeyBQUGGVZLRGQSMJ-UHFFFAOYSA-N
XLogP1.71
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 105366531
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163343648
4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 79674262
4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile
CID 79674180
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]morpholine-2-carbonitrile
CID 80629448
4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
CID 103880094
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile
CID 79675060
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile (CID 104924211) is 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile is N#CC1CN(c2ncc(Br)cc2F)CCO1.
What is the InChIKey of 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile?
The InChIKey is BQUGGVZLRGQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c11-7-3-9(12)10(14-5-7)15-1-2-16-8(4-13)6-15/h3,5,8H,1-2,6H2.
What are the key properties of 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile?
4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile has a molecular weight of 286.10 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile is sourced from PubChem (CID 104924211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).