3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile

C13H10BrN3O — CID 104507270

IUPAC3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
SMILESCc1c(N)cnc(Oc2cccc(C#N)c2)c1Br
InChIInChI=1S/C13H10BrN3O/c1-8-11(16)7-17-13(12(8)14)18-10-4-2-3-9(5-10)6-15/h2-5,7H,16H2,1H3
InChIKeyPMGVEDSEYVXHRA-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.40
Rot. Bonds2

About 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile

3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile (PubChem CID 104507270) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
PubChem CID104507270
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
SMILESCc1c(N)cnc(Oc2cccc(C#N)c2)c1Br
InChIInChI=1S/C13H10BrN3O/c1-8-11(16)7-17-13(12(8)14)18-10-4-2-3-9(5-10)6-15/h2-5,7H,16H2,1H3
InChIKeyPMGVEDSEYVXHRA-UHFFFAOYSA-N
XLogP3.40
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
3-(2-amino-5-bromopyrimidin-4-yl)oxybenzonitrile
CID 80863504
5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 104507282
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine
CID 104507278
3-(5-amino-2-chloro-6-methylpyrimidin-4-yl)oxybenzonitrile
CID 114044085
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
CID 104507271
3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy](13C,15N)benzonitrile
CID 10611771
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
3-[(5-bromo-3-pyridinyl)oxy]benzonitrile
CID 73011173

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile (CID 104507270) is 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile is Cc1c(N)cnc(Oc2cccc(C#N)c2)c1Br.
What is the InChIKey of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile?
The InChIKey is PMGVEDSEYVXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-8-11(16)7-17-13(12(8)14)18-10-4-2-3-9(5-10)6-15/h2-5,7H,16H2,1H3.
What are the key properties of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile?
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile has a molecular weight of 304.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 104507270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).