3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine

C11H8ClN3O3 — CID 28882414

IUPAC3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1ncccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C11H8ClN3O3/c12-10-4-3-8(6-14-10)7-18-9-2-1-5-13-11(9)15(16)17/h1-6H,7H2
InChIKeyPRMBWDFVMFWSMA-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.62
Rot. Bonds4

About 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine

3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine (PubChem CID 28882414) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine
PubChem CID28882414
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1ncccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C11H8ClN3O3/c12-10-4-3-8(6-14-10)7-18-9-2-1-5-13-11(9)15(16)17/h1-6H,7H2
InChIKeyPRMBWDFVMFWSMA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine (CID 28882414) is 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine is O=[N+]([O-])c1ncccc1OCc1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine?
The InChIKey is PRMBWDFVMFWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-10-4-3-8(6-14-10)7-18-9-2-1-5-13-11(9)15(16)17/h1-6H,7H2.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine?
3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine 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 3-[(6-chloro-3-pyridinyl)methoxy]-2-nitropyridine is sourced from PubChem (CID 28882414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).