4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine

C9H13N3O3 — CID 175510532

IUPAC4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine
SMILESCC(N)CCOc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-7(10)3-5-15-9-2-4-11-6-8(9)12(13)14/h2,4,6-7H,3,5,10H2,1H3
InChIKeyOOZWAFRSGFURHW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.11
Rot. Bonds5

About 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine

4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine (PubChem CID 175510532) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine.

Molecular Properties

Compound Name4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine
PubChem CID175510532
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine
SMILESCC(N)CCOc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-7(10)3-5-15-9-2-4-11-6-8(9)12(13)14/h2,4,6-7H,3,5,10H2,1H3
InChIKeyOOZWAFRSGFURHW-UHFFFAOYSA-N
XLogP1.11
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.11
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

3-nitro-4-prop-2-ynoxypyridine
CID 164662733
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844
2-(3-nitro-4-pyridinyl)pentan-3-amine
CID 63548618
4-(2-methylpropyl)-3-nitropyridine
CID 165439022
3-[(3-nitro-4-pyridinyl)sulfanyl]butan-1-ol
CID 66136072
2-(8-nitroisoquinolin-5-yl)oxypropan-1-amine
CID 82580497
1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride
CID 71732972
4-(4-methoxy-2-nitro-5-propoxyphenyl)butan-2-amine
CID 112720436
3-nitro-4-(piperidin-2-ylmethoxy)pyridine
CID 62349163
4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 103703895
1-(4-ethyl-2-nitrophenoxy)propan-2-amine
CID 102689380

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine?
The IUPAC name of 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine (CID 175510532) is 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine.
What is the SMILES notation for 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine?
The canonical SMILES for 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine is CC(N)CCOc1ccncc1[N+](=O)[O-].
What is the InChIKey of 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine?
The InChIKey is OOZWAFRSGFURHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7(10)3-5-15-9-2-4-11-6-8(9)12(13)14/h2,4,6-7H,3,5,10H2,1H3.
What are the key properties of 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine?
4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine has a molecular weight of 211.22 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine is sourced from PubChem (CID 175510532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).