6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile

C12H6BrClN2O — CID 64587971

IUPAC6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H6BrClN2O/c13-8-4-5-10(14)11(6-8)17-12-3-1-2-9(7-15)16-12/h1-6H
InChIKeyWWTJWWLQWNANDE-UHFFFAOYSA-N
MW309.55 g/mol
LogP4.16
Rot. Bonds2

About 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile

6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile (PubChem CID 64587971) has the molecular formula C12H6BrClN2O and a molecular weight of 309.55 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile
PubChem CID64587971
Molecular FormulaC12H6BrClN2O
Molecular Weight309.55 g/mol
Exact Mass307.94
IUPAC Name6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H6BrClN2O/c13-8-4-5-10(14)11(6-8)17-12-3-1-2-9(7-15)16-12/h1-6H
InChIKeyWWTJWWLQWNANDE-UHFFFAOYSA-N
XLogP4.16
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]pyridine-2-carbonitrile
CID 18440104
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine
CID 60727021
2-(4-bromo-2-chlorophenoxy)-6-fluoropyridine
CID 61229160
6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
CID 64596070
6-(4-hydroxyphenoxy)pyridine-2-carbonitrile
CID 64588999
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 115467723
6-quinolin-5-yloxypyridine-2-carbonitrile
CID 103044723
4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
CID 80943851
6-(2-nitrophenoxy)pyridine-2-carbonitrile
CID 64596158
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile
CID 86814381
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile (CID 64587971) is 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile is N#Cc1cccc(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile?
The InChIKey is WWTJWWLQWNANDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O/c13-8-4-5-10(14)11(6-8)17-12-3-1-2-9(7-15)16-12/h1-6H.
What are the key properties of 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile?
6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile has a molecular weight of 309.55 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 64587971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).