N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine

C15H14BF2N4+ — CID 102313630

IUPACN-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine
SMILESCc1cc(C)c2ccc(Nc3cccc[n+]3B(F)F)nc2n1
InChIInChI=1S/C15H13BF2N4/c1-10-9-11(2)19-15-12(10)6-7-13(21-15)20-14-5-3-4-8-22(14)16(17)18/h3-9H,1-2H3/p+1
InChIKeyCDFQRWKVFMEYLL-UHFFFAOYSA-O
MW299.11 g/mol
LogP3.05
Rot. Bonds3

About N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine

N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine (PubChem CID 102313630) has the molecular formula C15H14BF2N4+ and a molecular weight of 299.11 g/mol. Its IUPAC name is N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine
PubChem CID102313630
Molecular FormulaC15H14BF2N4+
Molecular Weight299.11 g/mol
Exact Mass299.13
IUPAC NameN-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine
SMILESCc1cc(C)c2ccc(Nc3cccc[n+]3B(F)F)nc2n1
InChIInChI=1S/C15H13BF2N4/c1-10-9-11(2)19-15-12(10)6-7-13(21-15)20-14-5-3-4-8-22(14)16(17)18/h3-9H,1-2H3/p+1
InChIKeyCDFQRWKVFMEYLL-UHFFFAOYSA-O
XLogP3.05
TPSA41.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine?
The IUPAC name of N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine (CID 102313630) is N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine?
The canonical SMILES for N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine is Cc1cc(C)c2ccc(Nc3cccc[n+]3B(F)F)nc2n1.
What is the InChIKey of N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine?
The InChIKey is CDFQRWKVFMEYLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13BF2N4/c1-10-9-11(2)19-15-12(10)6-7-13(21-15)20-14-5-3-4-8-22(14)16(17)18/h3-9H,1-2H3/p+1.
What are the key properties of N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine?
N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine has a molecular weight of 299.11 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine is sourced from PubChem (CID 102313630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).