1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride

C10H9ClN4O3 — CID 71732972

IUPAC1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride
SMILESNc1cc[n+](Oc2ccncc2[N+](=O)[O-])cc1.[Cl-]
InChIInChI=1S/C10H8N4O3.ClH/c11-8-2-5-13(6-3-8)17-10-1-4-12-7-9(10)14(15)16;/h1-7,11H;1H
InChIKeyGYPXQYONMIZQAN-UHFFFAOYSA-N
MW268.66 g/mol
LogP-2.29
Rot. Bonds3

About 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride

1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride (PubChem CID 71732972) has the molecular formula C10H9ClN4O3 and a molecular weight of 268.66 g/mol. Its IUPAC name is 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride.

Molecular Properties

Compound Name1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride
PubChem CID71732972
Molecular FormulaC10H9ClN4O3
Molecular Weight268.66 g/mol
Exact Mass268.04
IUPAC Name1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride
SMILESNc1cc[n+](Oc2ccncc2[N+](=O)[O-])cc1.[Cl-]
InChIInChI=1S/C10H8N4O3.ClH/c11-8-2-5-13(6-3-8)17-10-1-4-12-7-9(10)14(15)16;/h1-7,11H;1H
InChIKeyGYPXQYONMIZQAN-UHFFFAOYSA-N
XLogP-2.29
TPSA95.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 5-2.29
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
3-nitro-4-prop-2-ynoxypyridine
CID 164662733
4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine
CID 175510532
3-nitro-4-(oxetan-3-yloxy)pyridine
CID 90409320
3-nitro-4-(piperidin-2-ylmethoxy)pyridine
CID 62349163
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
CID 107713386
4-(2-tert-butylphenoxy)-3-nitropyridine
CID 59857443
3-nitro-4-piperidin-4-yloxypyridine;hydrochloride
CID 68908820
3-(8-nitroisoquinolin-5-yl)oxyaniline
CID 61027707
3-[(3-nitro-4-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 114199741

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride?
The IUPAC name of 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride (CID 71732972) is 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride.
What is the SMILES notation for 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride?
The canonical SMILES for 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride is Nc1cc[n+](Oc2ccncc2[N+](=O)[O-])cc1.[Cl-].
What is the InChIKey of 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride?
The InChIKey is GYPXQYONMIZQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3.ClH/c11-8-2-5-13(6-3-8)17-10-1-4-12-7-9(10)14(15)16;/h1-7,11H;1H.
What are the key properties of 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride?
1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride has a molecular weight of 268.66 g/mol, XLogP of -2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride is sourced from PubChem (CID 71732972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).