6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile

C10H10N4O3 — CID 103473325

IUPAC6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(OC2CC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O3/c11-4-6-1-9(14(15)16)10(13-5-6)17-8-2-7(12)3-8/h1,5,7-8H,2-3,12H2
InChIKeyUMBJBJLMLCNBGK-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.73
Rot. Bonds3

About 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile

6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile (PubChem CID 103473325) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile
PubChem CID103473325
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(OC2CC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O3/c11-4-6-1-9(14(15)16)10(13-5-6)17-8-2-7(12)3-8/h1,5,7-8H,2-3,12H2
InChIKeyUMBJBJLMLCNBGK-UHFFFAOYSA-N
XLogP0.73
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
CID 103473285
2-(3-aminocyclohexyl)oxy-5-nitropyridine-3-carbonitrile
CID 79464691
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
6-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carbonitrile
CID 103473350
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 103473272
5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane
CID 142523619
4-(4-aminocyclohexyl)oxy-3-nitrobenzonitrile
CID 62808322
5-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
6-[2-(hydroxymethyl)phenoxy]-5-nitropyridine-3-carbonitrile
CID 107713407
5-amino-6-cyclobutyloxypyridine-3-carbonitrile
CID 103469697
6-[(4,4-dimethylcyclohexyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471718

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile (CID 103473325) is 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile is N#Cc1cnc(OC2CC(N)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile?
The InChIKey is UMBJBJLMLCNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-4-6-1-9(14(15)16)10(13-5-6)17-8-2-7(12)3-8/h1,5,7-8H,2-3,12H2.
What are the key properties of 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile?
6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile has a molecular weight of 234.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103473325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).