4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine

C16H14BrN3OSn — CID 144697897

IUPAC4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine
SMILESBrc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=N[Sn]2
InChIInChI=1S/C16H14BrN3O.Sn/c17-14-3-1-2-12(10-14)16(18)13-4-5-19-15(11-13)20-6-8-21-9-7-20;/h1,3-5,10-11H,6-9H2;/q-1;+1
InChIKeyAOEUGRPZXPYVSR-UHFFFAOYSA-N
MW462.92 g/mol
LogP1.78
Rot. Bonds2

About 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine

4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine (PubChem CID 144697897) has the molecular formula C16H14BrN3OSn and a molecular weight of 462.92 g/mol. Its IUPAC name is 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine
PubChem CID144697897
Molecular FormulaC16H14BrN3OSn
Molecular Weight462.92 g/mol
Exact Mass462.93
IUPAC Name4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine
SMILESBrc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=N[Sn]2
InChIInChI=1S/C16H14BrN3O.Sn/c17-14-3-1-2-12(10-14)16(18)13-4-5-19-15(11-13)20-6-8-21-9-7-20;/h1,3-5,10-11H,6-9H2;/q-1;+1
InChIKeyAOEUGRPZXPYVSR-UHFFFAOYSA-N
XLogP1.78
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Morpholino-4-phenylnicotinonitrile
CID 1487460
(Z)-1-(4-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11774041
(E)-1-(4-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11849777
4-(5-Bromopyridin-2-yl)morpholine
CID 10966724
5-(3-Bromo-benzyl)-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10874046
5-[3-(3-Bromo-phenyl)-propyl]-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10972842
4-(5-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)pyridin-2-yl)morpholine
CID 45102788
4-[5-(2,3-Difluorophenyl)-2-pyridinyl]morpholine
CID 45486216
4-[5-[(5-Methyl-3-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 137642735
1-(3-Bromo-4-fluorobenzyl)-4-(2-pyridinyl)piperazine
CID 1068009
4-[5-(2,4-Difluorophenyl)-2-pyridinyl]morpholine
CID 45486220
2-[(5-Bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol
CID 71924066

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine (CID 144697897) is 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine is Brc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=N[Sn]2.
What is the InChIKey of 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is AOEUGRPZXPYVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O.Sn/c17-14-3-1-2-12(10-14)16(18)13-4-5-19-15(11-13)20-6-8-21-9-7-20;/h1,3-5,10-11H,6-9H2;/q-1;+1.
What are the key properties of 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 462.92 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromo-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 144697897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).