2-[(2-chloro-4-nitrophenoxy)methyl]pyridine

C12H9ClN2O3 — CID 17469433

IUPAC2-[(2-chloro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C12H9ClN2O3/c13-11-7-10(15(16)17)4-5-12(11)18-8-9-3-1-2-6-14-9/h1-7H,8H2
InChIKeyGWYKHOLLVPAQFF-UHFFFAOYSA-N
MW264.67 g/mol
LogP3.22
Rot. Bonds4

About 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine

2-[(2-chloro-4-nitrophenoxy)methyl]pyridine (PubChem CID 17469433) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-nitrophenoxy)methyl]pyridine
PubChem CID17469433
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name2-[(2-chloro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C12H9ClN2O3/c13-11-7-10(15(16)17)4-5-12(11)18-8-9-3-1-2-6-14-9/h1-7H,8H2
InChIKeyGWYKHOLLVPAQFF-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

3-Chloro-4-(2-pyridylmethoxy)aniline
CID 16781212
2-[(2-Chlorophenoxy)methyl]pyridine
CID 25349029
3-(2-Chlorophenoxy)pyridine
CID 12673485
2-Chloro-3-(2-phenoxyethoxy)pyridine
CID 23509569
4-Chloro-3-(2-pyridinylmethoxy)benzenamine
CID 64008775
2-(4-Chlorophenoxy)-5-nitropyridine
CID 277185
2-[(4-Chlorophenoxy)methyl]pyridine;hydrochloride
CID 13058725
4-Chloro-1-oxido-3-phenoxypyridin-1-ium
CID 14044048
2-Methyl-3-(2-nitrophenoxy)pyridine
CID 44344547
5-(2-Chlorophenoxy)-2-methoxy-1-oxidopyridin-1-ium
CID 44449527
2-(2,3-Dichlorophenoxy)-3-nitropyridine
CID 47112322
5-[2-(2,4-Dichlorophenoxy)ethoxy]-2-methylpyridine
CID 57393478

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine (CID 17469433) is 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine?
The InChIKey is GWYKHOLLVPAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-11-7-10(15(16)17)4-5-12(11)18-8-9-3-1-2-6-14-9/h1-7H,8H2.
What are the key properties of 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine?
2-[(2-chloro-4-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 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 17469433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).