5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile

C11H14N4O3 — CID 103473272

IUPAC5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
SMILESCC(C)NCCOc1ncc(C#N)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-8(2)13-3-4-18-11-10(15(16)17)5-9(6-12)7-14-11/h5,7-8,13H,3-4H2,1-2H3
InChIKeyHQTSVKVGIPZSIN-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.24
Rot. Bonds6

About 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile

5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile (PubChem CID 103473272) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
PubChem CID103473272
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
SMILESCC(C)NCCOc1ncc(C#N)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-8(2)13-3-4-18-11-10(15(16)17)5-9(6-12)7-14-11/h5,7-8,13H,3-4H2,1-2H3
InChIKeyHQTSVKVGIPZSIN-UHFFFAOYSA-N
XLogP1.24
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 113420698
6-[2-(2-methylpropoxy)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472107
6-(3-butoxypropylamino)-5-nitropyridine-3-carbonitrile
CID 103472042
6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 62348286
2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
CID 62348007
5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
CID 103473285
6-[2-(hydroxymethyl)phenoxy]-5-nitropyridine-3-carbonitrile
CID 107713407
6-[2-(2-methylprop-2-enoxy)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472118
6-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-nitropyridine-3-carbonitrile
CID 106158109
6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile
CID 103473325
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
6-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carbonitrile
CID 103473350

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile (CID 103473272) is 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile is CC(C)NCCOc1ncc(C#N)cc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile?
The InChIKey is HQTSVKVGIPZSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-8(2)13-3-4-18-11-10(15(16)17)5-9(6-12)7-14-11/h5,7-8,13H,3-4H2,1-2H3.
What are the key properties of 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile?
5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 103473272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).