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

C12H11N3O3 — CID 71861591

IUPAC5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
SMILESCc1cnc(OCc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-9-6-11(15(16)17)12(14-7-9)18-8-10-4-2-3-5-13-10/h2-7H,8H2,1H3
InChIKeyWIMVGOFRKQHYKL-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.27
Rot. Bonds4

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

5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine (PubChem CID 71861591) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
PubChem CID71861591
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
SMILESCc1cnc(OCc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-9-6-11(15(16)17)12(14-7-9)18-8-10-4-2-3-5-13-10/h2-7H,8H2,1H3
InChIKeyWIMVGOFRKQHYKL-UHFFFAOYSA-N
XLogP2.27
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.27
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

2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
CID 71979560
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
CID 71863441
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
1-[5-bromo-3-nitro-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 116542161
pyridin-2-ylmethyl 4-(methylamino)-3-nitrobenzoate
CID 46558384
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
2,5-dimethyl-3-nitropyridine
CID 12626468
(5-methyl-3-nitro-2-pyridinyl)methanamine;hydrochloride
CID 162421679
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine?
The IUPAC name of 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine (CID 71861591) is 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine.
What is the SMILES notation for 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine?
The canonical SMILES for 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine is Cc1cnc(OCc2ccccn2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine?
The InChIKey is WIMVGOFRKQHYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-9-6-11(15(16)17)12(14-7-9)18-8-10-4-2-3-5-13-10/h2-7H,8H2,1H3.
What are the key properties of 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine?
5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine has a molecular weight of 245.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine is sourced from PubChem (CID 71861591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).