2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile

C12H6ClN3O3 — CID 22148825

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
SMILESN#Cc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6ClN3O3/c13-9-4-11(7-15-6-9)19-12-2-1-10(16(17)18)3-8(12)5-14/h1-4,6-7H
InChIKeyIPGSRQQHTCEGKM-UHFFFAOYSA-N
MW275.65 g/mol
LogP3.31
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile

2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile (PubChem CID 22148825) has the molecular formula C12H6ClN3O3 and a molecular weight of 275.65 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
PubChem CID22148825
Molecular FormulaC12H6ClN3O3
Molecular Weight275.65 g/mol
Exact Mass275.01
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
SMILESN#Cc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6ClN3O3/c13-9-4-11(7-15-6-9)19-12-2-1-10(16(17)18)3-8(12)5-14/h1-4,6-7H
InChIKeyIPGSRQQHTCEGKM-UHFFFAOYSA-N
XLogP3.31
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 64602337
3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane
CID 143108320
2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile
CID 64602529
2-[4-chloro-2-(2-cyano-4-nitrophenoxy)phenoxy]-5-nitrobenzonitrile
CID 74762646
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 114902499
5-nitro-2-(2,4,5-trichlorophenoxy)benzonitrile
CID 2686879
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063
2-(2,3-dichlorophenoxy)-5-nitrobenzonitrile
CID 514836
2-(3-methoxy-5-methylphenoxy)-5-nitrobenzonitrile
CID 143108304
2-(2-bromo-5-nitrophenoxy)-5-chlorobenzonitrile
CID 103010062
5-chloro-2-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 62493404

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile (CID 22148825) is 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile is N#Cc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile?
The InChIKey is IPGSRQQHTCEGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3O3/c13-9-4-11(7-15-6-9)19-12-2-1-10(16(17)18)3-8(12)5-14/h1-4,6-7H.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile?
2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile has a molecular weight of 275.65 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile is sourced from PubChem (CID 22148825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).