4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine

C15H11N3O3 — CID 58532562

IUPAC4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
SMILESNc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1
InChIInChI=1S/C15H11N3O3/c16-15-9-10(7-8-17-15)21-14-6-5-13(18(19)20)11-3-1-2-4-12(11)14/h1-9H,(H2,16,17)
InChIKeyZYLBTAJGPCACPI-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.52
Rot. Bonds3

About 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine

4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine (PubChem CID 58532562) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine.

Molecular Properties

Compound Name4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
PubChem CID58532562
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
SMILESNc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1
InChIInChI=1S/C15H11N3O3/c16-15-9-10(7-8-17-15)21-14-6-5-13(18(19)20)11-3-1-2-4-12(11)14/h1-9H,(H2,16,17)
InChIKeyZYLBTAJGPCACPI-UHFFFAOYSA-N
XLogP3.52
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.52
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

4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine
CID 67450786
[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
CID 70881346
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]-N-prop-1-en-2-yloxycarbonylcarbamate
CID 67451623
1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one
CID 157261664
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294
1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea
CID 67451632
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamate
CID 67451903
3-(8-nitroisoquinolin-5-yl)oxyaniline
CID 61027707
2,3-bis[(4-nitronaphthalen-1-yl)oxy]anthracene
CID 170552339
5-naphthalen-2-yloxy-8-nitroisoquinoline
CID 32678041
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine?
The IUPAC name of 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine (CID 58532562) is 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine.
What is the SMILES notation for 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine?
The canonical SMILES for 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine is Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1.
What is the InChIKey of 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine?
The InChIKey is ZYLBTAJGPCACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-15-9-10(7-8-17-15)21-14-6-5-13(18(19)20)11-3-1-2-4-12(11)14/h1-9H,(H2,16,17).
What are the key properties of 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine?
4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine has a molecular weight of 281.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine is sourced from PubChem (CID 58532562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).