2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile

C12H7BrClNO2 — CID 113277248

IUPAC2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H7BrClNO2/c13-12-5-4-8(17-12)7-16-11-3-1-2-10(14)9(11)6-15/h1-5H,7H2
InChIKeyRFJXAVJAXJTTAZ-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.15
Rot. Bonds3

About 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile

2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile (PubChem CID 113277248) has the molecular formula C12H7BrClNO2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile
PubChem CID113277248
Molecular FormulaC12H7BrClNO2
Molecular Weight312.55 g/mol
Exact Mass310.93
IUPAC Name2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H7BrClNO2/c13-12-5-4-8(17-12)7-16-11-3-1-2-10(14)9(11)6-15/h1-5H,7H2
InChIKeyRFJXAVJAXJTTAZ-UHFFFAOYSA-N
XLogP4.15
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzonitrile
CID 79032659
2-[(5-bromofuran-2-yl)methoxy]-4-chlorobenzonitrile
CID 113277284
2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
CID 114322559
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol
CID 43143276
2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile
CID 102616082
2-chloro-6-hexoxybenzonitrile
CID 63513082
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80963175
5-[(3-chloro-2-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 114323992

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile?
The IUPAC name of 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile (CID 113277248) is 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile is N#Cc1c(Cl)cccc1OCc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile?
The InChIKey is RFJXAVJAXJTTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO2/c13-12-5-4-8(17-12)7-16-11-3-1-2-10(14)9(11)6-15/h1-5H,7H2.
What are the key properties of 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile?
2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile has a molecular weight of 312.55 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile is sourced from PubChem (CID 113277248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).