3-nitro-2-phenylmethoxypyridine

C12H10N2O3 — CID 15786626

IUPAC3-nitro-2-phenylmethoxypyridine
SMILESO=[N+]([O-])c1cccnc1OCc1ccccc1
InChIInChI=1S/C12H10N2O3/c15-14(16)11-7-4-8-13-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyHHNXTCFRQLAMIX-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.57
Rot. Bonds4

About 3-nitro-2-phenylmethoxypyridine

3-nitro-2-phenylmethoxypyridine (PubChem CID 15786626) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-nitro-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-nitro-2-phenylmethoxypyridine
PubChem CID15786626
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-nitro-2-phenylmethoxypyridine
SMILESO=[N+]([O-])c1cccnc1OCc1ccccc1
InChIInChI=1S/C12H10N2O3/c15-14(16)11-7-4-8-13-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyHHNXTCFRQLAMIX-UHFFFAOYSA-N
XLogP2.57
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-phenylmethoxypyridine?
The IUPAC name of 3-nitro-2-phenylmethoxypyridine (CID 15786626) is 3-nitro-2-phenylmethoxypyridine.
What is the SMILES notation for 3-nitro-2-phenylmethoxypyridine?
The canonical SMILES for 3-nitro-2-phenylmethoxypyridine is O=[N+]([O-])c1cccnc1OCc1ccccc1.
What is the InChIKey of 3-nitro-2-phenylmethoxypyridine?
The InChIKey is HHNXTCFRQLAMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-14(16)11-7-4-8-13-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 3-nitro-2-phenylmethoxypyridine?
3-nitro-2-phenylmethoxypyridine has a molecular weight of 230.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-phenylmethoxypyridine is sourced from PubChem (CID 15786626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).