8-(3-nitrophenyl)-1,7-naphthyridin-6-amine

C14H10N4O2 — CID 10611778

IUPAC8-(3-nitrophenyl)-1,7-naphthyridin-6-amine
SMILESNc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C14H10N4O2/c15-12-8-10-4-2-6-16-13(10)14(17-12)9-3-1-5-11(7-9)18(19)20/h1-8H,(H2,15,17)
InChIKeyQEROEWFWSVQFIF-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.79
Rot. Bonds2

About 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine

8-(3-nitrophenyl)-1,7-naphthyridin-6-amine (PubChem CID 10611778) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine.

Molecular Properties

Compound Name8-(3-nitrophenyl)-1,7-naphthyridin-6-amine
PubChem CID10611778
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name8-(3-nitrophenyl)-1,7-naphthyridin-6-amine
SMILESNc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C14H10N4O2/c15-12-8-10-4-2-6-16-13(10)14(17-12)9-3-1-5-11(7-9)18(19)20/h1-8H,(H2,15,17)
InChIKeyQEROEWFWSVQFIF-UHFFFAOYSA-N
XLogP2.79
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine?
The IUPAC name of 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine (CID 10611778) is 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine.
What is the SMILES notation for 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine?
The canonical SMILES for 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine is Nc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine?
The InChIKey is QEROEWFWSVQFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-12-8-10-4-2-6-16-13(10)14(17-12)9-3-1-5-11(7-9)18(19)20/h1-8H,(H2,15,17).
What are the key properties of 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine?
8-(3-nitrophenyl)-1,7-naphthyridin-6-amine has a molecular weight of 266.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-nitrophenyl)-1,7-naphthyridin-6-amine is sourced from PubChem (CID 10611778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).