3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid

C11H8N4O5 — CID 79816029

IUPAC3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid
SMILESNc1nc(Oc2cccnc2C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N4O5/c12-10-6(15(18)19)3-4-8(14-10)20-7-2-1-5-13-9(7)11(16)17/h1-5H,(H2,12,14)(H,16,17)
InChIKeyJDAHCQLHBKSGCD-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.46
Rot. Bonds4

About 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid

3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid (PubChem CID 79816029) has the molecular formula C11H8N4O5 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid
PubChem CID79816029
Molecular FormulaC11H8N4O5
Molecular Weight276.21 g/mol
Exact Mass276.05
IUPAC Name3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid
SMILESNc1nc(Oc2cccnc2C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N4O5/c12-10-6(15(18)19)3-4-8(14-10)20-7-2-1-5-13-9(7)11(16)17/h1-5H,(H2,12,14)(H,16,17)
InChIKeyJDAHCQLHBKSGCD-UHFFFAOYSA-N
XLogP1.46
TPSA141.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443142
3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61030638
6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine
CID 106485412
3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 64588607
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
CID 157299402
CID 157299402
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
3-[(6-methyl-2-pyridinyl)oxy]-4-nitrobenzoic acid
CID 107078079
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid (CID 79816029) is 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid is Nc1nc(Oc2cccnc2C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The InChIKey is JDAHCQLHBKSGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O5/c12-10-6(15(18)19)3-4-8(14-10)20-7-2-1-5-13-9(7)11(16)17/h1-5H,(H2,12,14)(H,16,17).
What are the key properties of 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79816029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).