3-(cyclopropylmethoxy)-2-nitropyridine

C9H10N2O3 — CID 90078181

IUPAC3-(cyclopropylmethoxy)-2-nitropyridine
SMILESO=[N+]([O-])c1ncccc1OCC1CC1
InChIInChI=1S/C9H10N2O3/c12-11(13)9-8(2-1-5-10-9)14-6-7-3-4-7/h1-2,5,7H,3-4,6H2
InChIKeyHWUOQLPUEKPBKW-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.78
Rot. Bonds4

About 3-(cyclopropylmethoxy)-2-nitropyridine

3-(cyclopropylmethoxy)-2-nitropyridine (PubChem CID 90078181) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-2-nitropyridine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-2-nitropyridine
PubChem CID90078181
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(cyclopropylmethoxy)-2-nitropyridine
SMILESO=[N+]([O-])c1ncccc1OCC1CC1
InChIInChI=1S/C9H10N2O3/c12-11(13)9-8(2-1-5-10-9)14-6-7-3-4-7/h1-2,5,7H,3-4,6H2
InChIKeyHWUOQLPUEKPBKW-UHFFFAOYSA-N
XLogP1.78
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.78
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

N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
3-methoxy-2-nitropyridine
CID 556063
3-decoxy-2-nitropyridine
CID 152620226
3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one
CID 66368057
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993
3-[[1-(bromomethyl)cyclobutyl]methoxy]-2-nitropyridine
CID 65007945
2-[(2-nitro-3-pyridinyl)oxymethyl]prop-2-ene-1-thiol
CID 103073721
1-chloro-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 112560608
1-(4-benzylpiperidin-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 3300095
3-(2,2-diethoxyethoxy)-2-nitropyridine
CID 63628584
N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4578815

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-2-nitropyridine?
The IUPAC name of 3-(cyclopropylmethoxy)-2-nitropyridine (CID 90078181) is 3-(cyclopropylmethoxy)-2-nitropyridine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-2-nitropyridine?
The canonical SMILES for 3-(cyclopropylmethoxy)-2-nitropyridine is O=[N+]([O-])c1ncccc1OCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-2-nitropyridine?
The InChIKey is HWUOQLPUEKPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-11(13)9-8(2-1-5-10-9)14-6-7-3-4-7/h1-2,5,7H,3-4,6H2.
What are the key properties of 3-(cyclopropylmethoxy)-2-nitropyridine?
3-(cyclopropylmethoxy)-2-nitropyridine has a molecular weight of 194.19 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-2-nitropyridine is sourced from PubChem (CID 90078181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).