5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile

C12H8BrN3O — CID 67485726

IUPAC5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile
SMILESCc1ncccc1Oc1cc(Br)cnc1C#N
InChIInChI=1S/C12H8BrN3O/c1-8-11(3-2-4-15-8)17-12-5-9(13)7-16-10(12)6-14/h2-5,7H,1H3
InChIKeyICZNWYWLGWYNFS-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.21
Rot. Bonds2

About 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile

5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile (PubChem CID 67485726) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile
PubChem CID67485726
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile
SMILESCc1ncccc1Oc1cc(Br)cnc1C#N
InChIInChI=1S/C12H8BrN3O/c1-8-11(3-2-4-15-8)17-12-5-9(13)7-16-10(12)6-14/h2-5,7H,1H3
InChIKeyICZNWYWLGWYNFS-UHFFFAOYSA-N
XLogP3.21
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
CID 67485792
5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile
CID 114202973
5-bromo-2-isocyano-3-[(2-methyl-3-pyridinyl)oxy]pyridine
CID 123768945
[5-bromo-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]thiourea
CID 87418006
5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 107928229
5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
CID 177176529
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81283347
6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
CID 107545995
3-fluoro-5-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 102818187
3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile
CID 103589175
3-bromo-1-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridin-1-ium
CID 90144029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile (CID 67485726) is 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile is Cc1ncccc1Oc1cc(Br)cnc1C#N.
What is the InChIKey of 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile?
The InChIKey is ICZNWYWLGWYNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c1-8-11(3-2-4-15-8)17-12-5-9(13)7-16-10(12)6-14/h2-5,7H,1H3.
What are the key properties of 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile?
5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile has a molecular weight of 290.12 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile is sourced from PubChem (CID 67485726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).