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

C11H12BrN3O — CID 105366531

IUPAC4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
SMILESCc1cnc(N2CCOC(C#N)C2)c(Br)c1
InChIInChI=1S/C11H12BrN3O/c1-8-4-10(12)11(14-6-8)15-2-3-16-9(5-13)7-15/h4,6,9H,2-3,7H2,1H3
InChIKeyWKGIDWKXSCCAMZ-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.88
Rot. Bonds1

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

4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile (PubChem CID 105366531) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
PubChem CID105366531
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
SMILESCc1cnc(N2CCOC(C#N)C2)c(Br)c1
InChIInChI=1S/C11H12BrN3O/c1-8-4-10(12)11(14-6-8)15-2-3-16-9(5-13)7-15/h4,6,9H,2-3,7H2,1H3
InChIKeyWKGIDWKXSCCAMZ-UHFFFAOYSA-N
XLogP1.88
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 79674262
4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile
CID 104924211
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]morpholine-2-carbonitrile
CID 80629448
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile
CID 79674180
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile (CID 105366531) is 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile is Cc1cnc(N2CCOC(C#N)C2)c(Br)c1.
What is the InChIKey of 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile?
The InChIKey is WKGIDWKXSCCAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-8-4-10(12)11(14-6-8)15-2-3-16-9(5-13)7-15/h4,6,9H,2-3,7H2,1H3.
What are the key properties of 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile?
4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile has a molecular weight of 282.14 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile is sourced from PubChem (CID 105366531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).