6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine

C11H15N3O3 — CID 114158193

IUPAC6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine
SMILESNc1nc(OCCC2CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c12-11-9(14(15)16)4-5-10(13-11)17-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H2,12,13)
InChIKeyVRUDOSGFUZATIR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.14
Rot. Bonds5

About 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine

6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine (PubChem CID 114158193) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine
PubChem CID114158193
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine
SMILESNc1nc(OCCC2CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c12-11-9(14(15)16)4-5-10(13-11)17-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H2,12,13)
InChIKeyVRUDOSGFUZATIR-UHFFFAOYSA-N
XLogP2.14
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
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

6-(2-cyclopropylethoxy)-3-nitropyridin-2-amine
CID 106207381
6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine
CID 79815802
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
6-(2-cyclopropylethoxy)-4-nitropyridin-2-amine
CID 106207493
CID 157299402
CID 157299402
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine
CID 114158243
6-[4-(2-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816389
4-(2-cyclopentylethoxy)-3-nitrobenzenesulfonyl chloride
CID 98468392
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
5-(2-cyclobutylethoxy)-2-fluoro-4-nitrobenzoic acid
CID 106200396

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine?
The IUPAC name of 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine (CID 114158193) is 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine?
The canonical SMILES for 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine is Nc1nc(OCCC2CCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine?
The InChIKey is VRUDOSGFUZATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-11-9(14(15)16)4-5-10(13-11)17-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H2,12,13).
What are the key properties of 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine?
6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine is sourced from PubChem (CID 114158193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).