6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine

C15H15N3O2 — CID 114606997

IUPAC6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(-c2cccc(C3CCC3)c2)n1
InChIInChI=1S/C15H15N3O2/c16-14-8-7-13(18(19)20)15(17-14)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10H,1,3-4H2,(H2,16,17)
InChIKeySZGZZSZXTVPOEM-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.51
Rot. Bonds3

About 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine

6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine (PubChem CID 114606997) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine
PubChem CID114606997
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(-c2cccc(C3CCC3)c2)n1
InChIInChI=1S/C15H15N3O2/c16-14-8-7-13(18(19)20)15(17-14)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10H,1,3-4H2,(H2,16,17)
InChIKeySZGZZSZXTVPOEM-UHFFFAOYSA-N
XLogP3.51
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine (CID 114606997) is 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(-c2cccc(C3CCC3)c2)n1.
What is the InChIKey of 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine?
The InChIKey is SZGZZSZXTVPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-14-8-7-13(18(19)20)15(17-14)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10H,1,3-4H2,(H2,16,17).
What are the key properties of 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine?
6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine has a molecular weight of 269.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 114606997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).