3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile

C12H6ClN3O3 — CID 114287950

IUPAC3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClN3O3/c13-9-1-2-10(16(17)18)11(5-9)19-12-7-15-4-3-8(12)6-14/h1-5,7H
InChIKeyKQFVDLSOECJSNS-UHFFFAOYSA-N
MW275.65 g/mol
LogP3.31
Rot. Bonds3

About 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile

3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile (PubChem CID 114287950) has the molecular formula C12H6ClN3O3 and a molecular weight of 275.65 g/mol. Its IUPAC name is 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
PubChem CID114287950
Molecular FormulaC12H6ClN3O3
Molecular Weight275.65 g/mol
Exact Mass275.01
IUPAC Name3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClN3O3/c13-9-1-2-10(16(17)18)11(5-9)19-12-7-15-4-3-8(12)6-14/h1-5,7H
InChIKeyKQFVDLSOECJSNS-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

3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile
CID 114416641
5-bromo-2-(5-chloro-2-nitrophenoxy)benzonitrile
CID 114891050
4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55156102
5-[(4-cyano-3-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077781
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
3-(5-chloro-2-nitrophenoxy)benzonitrile
CID 102818094
4-chloro-2-(3-chloro-4-nitrophenoxy)benzonitrile
CID 63093764
4-(5-chloro-2-nitrophenoxy)-3,5-difluorobenzonitrile
CID 81287464
3-(4-chlorophenoxy)-4-nitropyridine
CID 21106908
3-(4-bromo-2-methyl-6-nitrophenoxy)pyridine-4-carbonitrile
CID 114287981
3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
CID 114287961
3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
CID 78976903

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile (CID 114287950) is 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile is N#Cc1ccncc1Oc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile?
The InChIKey is KQFVDLSOECJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3O3/c13-9-1-2-10(16(17)18)11(5-9)19-12-7-15-4-3-8(12)6-14/h1-5,7H.
What are the key properties of 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile?
3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile 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 3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 114287950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).