7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine

C12H14BrFN4 — CID 67052306

IUPAC7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine
SMILESCC(C)(F)CNc1cnc2cc(Br)cnc2c1N
InChIInChI=1S/C12H14BrFN4/c1-12(2,14)6-18-9-5-16-8-3-7(13)4-17-11(8)10(9)15/h3-5,18H,6H2,1-2H3,(H2,15,16)
InChIKeyZIGDXDZJNJEGSG-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.13
Rot. Bonds3

About 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine

7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine (PubChem CID 67052306) has the molecular formula C12H14BrFN4 and a molecular weight of 313.17 g/mol. Its IUPAC name is 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine.

Molecular Properties

Compound Name7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine
PubChem CID67052306
Molecular FormulaC12H14BrFN4
Molecular Weight313.17 g/mol
Exact Mass312.04
IUPAC Name7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine
SMILESCC(C)(F)CNc1cnc2cc(Br)cnc2c1N
InChIInChI=1S/C12H14BrFN4/c1-12(2,14)6-18-9-5-16-8-3-7(13)4-17-11(8)10(9)15/h3-5,18H,6H2,1-2H3,(H2,15,16)
InChIKeyZIGDXDZJNJEGSG-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine 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 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine?
The IUPAC name of 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine (CID 67052306) is 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine.
What is the SMILES notation for 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine?
The canonical SMILES for 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine is CC(C)(F)CNc1cnc2cc(Br)cnc2c1N.
What is the InChIKey of 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine?
The InChIKey is ZIGDXDZJNJEGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4/c1-12(2,14)6-18-9-5-16-8-3-7(13)4-17-11(8)10(9)15/h3-5,18H,6H2,1-2H3,(H2,15,16).
What are the key properties of 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine?
7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine has a molecular weight of 313.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine is sourced from PubChem (CID 67052306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).