2-chloro-4-(2-nitrophenoxy)benzonitrile

C13H7ClN2O3 — CID 62947163

IUPAC2-chloro-4-(2-nitrophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H7ClN2O3/c14-11-7-10(6-5-9(11)8-15)19-13-4-2-1-3-12(13)16(17)18/h1-7H
InChIKeyVEFILBCFCUOEBJ-UHFFFAOYSA-N
MW274.66 g/mol
LogP3.91
Rot. Bonds3

About 2-chloro-4-(2-nitrophenoxy)benzonitrile

2-chloro-4-(2-nitrophenoxy)benzonitrile (PubChem CID 62947163) has the molecular formula C13H7ClN2O3 and a molecular weight of 274.66 g/mol. Its IUPAC name is 2-chloro-4-(2-nitrophenoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-nitrophenoxy)benzonitrile
PubChem CID62947163
Molecular FormulaC13H7ClN2O3
Molecular Weight274.66 g/mol
Exact Mass274.01
IUPAC Name2-chloro-4-(2-nitrophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H7ClN2O3/c14-11-7-10(6-5-9(11)8-15)19-13-4-2-1-3-12(13)16(17)18/h1-7H
InChIKeyVEFILBCFCUOEBJ-UHFFFAOYSA-N
XLogP3.91
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(3-chloro-4-nitrophenoxy)benzonitrile
CID 63093764
3-(2-nitrophenoxy)benzonitrile
CID 9194888
3-chloro-4-(2-nitrophenoxy)benzonitrile
CID 11708872
5-fluoro-2-(2-nitrophenoxy)benzonitrile
CID 63668372
2-chloro-4-(2,4-dimethyl-6-nitrophenoxy)benzonitrile
CID 62948840
5-(2-hydroxyphenoxy)-2-nitrobenzonitrile
CID 115500593
2-bromo-6-(3-chloro-4-nitrophenoxy)benzonitrile
CID 114881660
5-(2-iodophenoxy)-2-nitrobenzonitrile
CID 115500025
4-(4-chloro-2-nitrophenoxy)-2-methylbenzonitrile
CID 81281543
2-(2-chloro-6-nitrophenoxy)-4-methoxybenzonitrile
CID 107716757
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
2-chloro-4-(2-prop-2-enylphenoxy)benzonitrile
CID 11492737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-nitrophenoxy)benzonitrile?
The IUPAC name of 2-chloro-4-(2-nitrophenoxy)benzonitrile (CID 62947163) is 2-chloro-4-(2-nitrophenoxy)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2-nitrophenoxy)benzonitrile?
The canonical SMILES for 2-chloro-4-(2-nitrophenoxy)benzonitrile is N#Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-(2-nitrophenoxy)benzonitrile?
The InChIKey is VEFILBCFCUOEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O3/c14-11-7-10(6-5-9(11)8-15)19-13-4-2-1-3-12(13)16(17)18/h1-7H.
What are the key properties of 2-chloro-4-(2-nitrophenoxy)benzonitrile?
2-chloro-4-(2-nitrophenoxy)benzonitrile has a molecular weight of 274.66 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-nitrophenoxy)benzonitrile is sourced from PubChem (CID 62947163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).