3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile

C12H5BrCl2N2O — CID 59529783

IUPAC3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile
SMILESN#Cc1nccc(Cl)c1Oc1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H5BrCl2N2O/c13-7-3-8(14)5-9(4-7)18-12-10(15)1-2-17-11(12)6-16/h1-5H
InChIKeyUCQUXKRVEUYBAF-UHFFFAOYSA-N
MW344.00 g/mol
LogP4.81
Rot. Bonds2

About 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile

3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile (PubChem CID 59529783) has the molecular formula C12H5BrCl2N2O and a molecular weight of 344.00 g/mol. Its IUPAC name is 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile
PubChem CID59529783
Molecular FormulaC12H5BrCl2N2O
Molecular Weight344.00 g/mol
Exact Mass341.90
IUPAC Name3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile
SMILESN#Cc1nccc(Cl)c1Oc1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H5BrCl2N2O/c13-7-3-8(14)5-9(4-7)18-12-10(15)1-2-17-11(12)6-16/h1-5H
InChIKeyUCQUXKRVEUYBAF-UHFFFAOYSA-N
XLogP4.81
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile?
The IUPAC name of 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile (CID 59529783) is 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile?
The canonical SMILES for 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile is N#Cc1nccc(Cl)c1Oc1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile?
The InChIKey is UCQUXKRVEUYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl2N2O/c13-7-3-8(14)5-9(4-7)18-12-10(15)1-2-17-11(12)6-16/h1-5H.
What are the key properties of 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile?
3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile has a molecular weight of 344.00 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile is sourced from PubChem (CID 59529783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).