5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine

C11H8ClN3O3 — CID 135218673

IUPAC5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1OCc1cccnc1
InChIInChI=1S/C11H8ClN3O3/c12-9-4-10(15(16)17)11(14-6-9)18-7-8-2-1-3-13-5-8/h1-6H,7H2
InChIKeyNGOPDNKLNXHBOC-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.62
Rot. Bonds4

About 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine

5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine (PubChem CID 135218673) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine.

Molecular Properties

Compound Name5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
PubChem CID135218673
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1OCc1cccnc1
InChIInChI=1S/C11H8ClN3O3/c12-9-4-10(15(16)17)11(14-6-9)18-7-8-2-1-3-13-5-8/h1-6H,7H2
InChIKeyNGOPDNKLNXHBOC-UHFFFAOYSA-N
XLogP2.62
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.62
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)methyl]pyridine
CID 78976903
3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
CID 22010197
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
CID 59849927
N-methyl-1-[4-nitro-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 62116914
3-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 112558818
3-nitro-2-(pyridin-4-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 177245524
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780053
3-(pyridin-3-ylmethoxy)pyrazin-2-amine
CID 59168095
4-chloro-N-(4-chlorophenyl)-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52708249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine?
The IUPAC name of 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine (CID 135218673) is 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine.
What is the SMILES notation for 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine?
The canonical SMILES for 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine is O=[N+]([O-])c1cc(Cl)cnc1OCc1cccnc1.
What is the InChIKey of 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine?
The InChIKey is NGOPDNKLNXHBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-9-4-10(15(16)17)11(14-6-9)18-7-8-2-1-3-13-5-8/h1-6H,7H2.
What are the key properties of 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine?
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine has a molecular weight of 265.66 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine is sourced from PubChem (CID 135218673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).