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

C12H6ClN3O3 — CID 55156102

IUPAC4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccn1
InChIInChI=1S/C12H6ClN3O3/c13-8-1-2-11(16(17)18)12(5-8)19-10-3-4-15-9(6-10)7-14/h1-6H
InChIKeyUHHRDEGORPOSQO-UHFFFAOYSA-N
MW275.65 g/mol
LogP3.31
Rot. Bonds3

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

4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile (PubChem CID 55156102) has the molecular formula C12H6ClN3O3 and a molecular weight of 275.65 g/mol. Its IUPAC name is 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
PubChem CID55156102
Molecular FormulaC12H6ClN3O3
Molecular Weight275.65 g/mol
Exact Mass275.01
IUPAC Name4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccn1
InChIInChI=1S/C12H6ClN3O3/c13-8-1-2-11(16(17)18)12(5-8)19-10-3-4-15-9(6-10)7-14/h1-6H
InChIKeyUHHRDEGORPOSQO-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-(5-chloro-2-nitrophenoxy)benzonitrile
CID 102818094
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670
4-chloro-2-(3-chloro-4-nitrophenoxy)benzonitrile
CID 63093764
3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
CID 114287950
4-[(4-chloro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884238
4-(5-chloro-2-nitrophenoxy)-N-methylaniline
CID 115471949
2-(4-chloro-2-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545722
4-(3-methyl-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55155911
4-(5-chloro-2-nitrophenoxy)-3,5-difluorobenzonitrile
CID 81287464
4-[(2-chloro-4-pyridinyl)oxy]-3-nitrobenzonitrile
CID 63778302
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063
4-(5-chloro-2-nitrophenoxy)benzoic acid
CID 62306362

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile (CID 55156102) is 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile is N#Cc1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccn1.
What is the InChIKey of 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile?
The InChIKey is UHHRDEGORPOSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3O3/c13-8-1-2-11(16(17)18)12(5-8)19-10-3-4-15-9(6-10)7-14/h1-6H.
What are the key properties of 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile?
4-(5-chloro-2-nitrophenoxy)pyridine-2-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 4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 55156102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).