3-[(5-chloro-2-nitrophenoxy)methyl]pyridine

C12H9ClN2O3 — CID 78976903

IUPAC3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(Cl)cc1OCc1cccnc1
InChIInChI=1S/C12H9ClN2O3/c13-10-3-4-11(15(16)17)12(6-10)18-8-9-2-1-5-14-7-9/h1-7H,8H2
InChIKeyLEGRDRMVAFLCGU-UHFFFAOYSA-N
MW264.67 g/mol
LogP3.22
Rot. Bonds4

About 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine

3-[(5-chloro-2-nitrophenoxy)methyl]pyridine (PubChem CID 78976903) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
PubChem CID78976903
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(Cl)cc1OCc1cccnc1
InChIInChI=1S/C12H9ClN2O3/c13-10-3-4-11(15(16)17)12(6-10)18-8-9-2-1-5-14-7-9/h1-7H,8H2
InChIKeyLEGRDRMVAFLCGU-UHFFFAOYSA-N
XLogP3.22
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 53.22
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

N-methyl-1-[4-nitro-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 62116914
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673
4-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466940
3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
CID 22010197
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
2-[(5-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79259598
3-[(5-chloro-2-nitrophenoxy)methyl]benzenecarboximidamide
CID 62305355
4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
CID 78976905
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]-1-nitrobenzene
CID 62115209
5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62886176

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine?
The IUPAC name of 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine (CID 78976903) is 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1ccc(Cl)cc1OCc1cccnc1.
What is the InChIKey of 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine?
The InChIKey is LEGRDRMVAFLCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-10-3-4-11(15(16)17)12(6-10)18-8-9-2-1-5-14-7-9/h1-7H,8H2.
What are the key properties of 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine?
3-[(5-chloro-2-nitrophenoxy)methyl]pyridine has a molecular weight of 264.67 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 78976903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).