2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile

C12H6BrClN2O — CID 107058844

IUPAC2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc(Br)c2)c1Cl
InChIInChI=1S/C12H6BrClN2O/c13-9-2-1-3-10(6-9)17-12-11(14)8(7-15)4-5-16-12/h1-6H
InChIKeyYPDFZWNVHDTZJE-UHFFFAOYSA-N
MW309.55 g/mol
LogP4.16
Rot. Bonds2

About 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile

2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile (PubChem CID 107058844) has the molecular formula C12H6BrClN2O and a molecular weight of 309.55 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
PubChem CID107058844
Molecular FormulaC12H6BrClN2O
Molecular Weight309.55 g/mol
Exact Mass307.94
IUPAC Name2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc(Br)c2)c1Cl
InChIInChI=1S/C12H6BrClN2O/c13-9-2-1-3-10(6-9)17-12-11(14)8(7-15)4-5-16-12/h1-6H
InChIKeyYPDFZWNVHDTZJE-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

3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
CID 107059136
4-(3-bromophenoxy)-2-methylpyrimidine-5-carbonitrile
CID 112755249
2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739624
3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
CID 107061466
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
2-(3-bromophenoxy)benzonitrile
CID 28602353
2-(4-bromo-2-methyl-6-nitrophenoxy)-3-chloropyridine-4-carbonitrile
CID 107059109
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile
CID 82812989

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile (CID 107058844) is 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(Oc2cccc(Br)c2)c1Cl.
What is the InChIKey of 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile?
The InChIKey is YPDFZWNVHDTZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O/c13-9-2-1-3-10(6-9)17-12-11(14)8(7-15)4-5-16-12/h1-6H.
What are the key properties of 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile?
2-(3-bromophenoxy)-3-chloropyridine-4-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 2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107058844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).