5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile

C13H9BrN2O — CID 114202973

IUPAC5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1ccc(Oc2cc(Br)cnc2C#N)cc1
InChIInChI=1S/C13H9BrN2O/c1-9-2-4-11(5-3-9)17-13-6-10(14)8-16-12(13)7-15/h2-6,8H,1H3
InChIKeyLYKBRCAZTDWORL-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.82
Rot. Bonds2

About 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile

5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile (PubChem CID 114202973) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile
PubChem CID114202973
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1ccc(Oc2cc(Br)cnc2C#N)cc1
InChIInChI=1S/C13H9BrN2O/c1-9-2-4-11(5-3-9)17-13-6-10(14)8-16-12(13)7-15/h2-6,8H,1H3
InChIKeyLYKBRCAZTDWORL-UHFFFAOYSA-N
XLogP3.82
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
CID 177176529
5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile
CID 67485726
3-(4-fluorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 1478730
4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
5-bromo-3-(2,6-dimethyloxan-4-yl)oxypyridine-2-carbonitrile
CID 114203011
2-bromo-4-methyl-6-(4-methylphenoxy)phenol
CID 101049595
4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
CID 103583574
5-bromo-2-methoxy-3-phenoxypyridine
CID 165374137
4-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 105368203
5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445
3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile
CID 162731517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile (CID 114202973) is 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile is Cc1ccc(Oc2cc(Br)cnc2C#N)cc1.
What is the InChIKey of 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile?
The InChIKey is LYKBRCAZTDWORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c1-9-2-4-11(5-3-9)17-13-6-10(14)8-16-12(13)7-15/h2-6,8H,1H3.
What are the key properties of 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile?
5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile has a molecular weight of 289.13 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 114202973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).