3-methoxy-2-nitropyridine

C6H6N2O3 — CID 556063

IUPAC3-methoxy-2-nitropyridine
SMILESCOc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3/c1-11-5-3-2-4-7-6(5)8(9)10/h2-4H,1H3
InChIKeyLSXHCFSGOBFNDX-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.00
Rot. Bonds2

About 3-methoxy-2-nitropyridine

3-methoxy-2-nitropyridine (PubChem CID 556063) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-methoxy-2-nitropyridine.

Molecular Properties

Compound Name3-methoxy-2-nitropyridine
PubChem CID556063
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name3-methoxy-2-nitropyridine
SMILESCOc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3/c1-11-5-3-2-4-7-6(5)8(9)10/h2-4H,1H3
InChIKeyLSXHCFSGOBFNDX-UHFFFAOYSA-N
XLogP1.00
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.00
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

methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
3-decoxy-2-nitropyridine
CID 152620226
(2-nitro-3-pyridinyl) N-methylcarbamate
CID 45116340
3-(2,2-diethoxyethoxy)-2-nitropyridine
CID 63628584
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one
CID 66368057
methyl 2-methyl-4-[(2-nitro-3-pyridinyl)oxy]but-2-enoate
CID 77074652
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968
(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 103547811
4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine
CID 133282270
5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine
CID 124675029
2-(3,4-dimethoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648413

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-nitropyridine?
The IUPAC name of 3-methoxy-2-nitropyridine (CID 556063) is 3-methoxy-2-nitropyridine.
What is the SMILES notation for 3-methoxy-2-nitropyridine?
The canonical SMILES for 3-methoxy-2-nitropyridine is COc1cccnc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-2-nitropyridine?
The InChIKey is LSXHCFSGOBFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-11-5-3-2-4-7-6(5)8(9)10/h2-4H,1H3.
What are the key properties of 3-methoxy-2-nitropyridine?
3-methoxy-2-nitropyridine has a molecular weight of 154.12 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-nitropyridine is sourced from PubChem (CID 556063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).