3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine

C12H12FN3 — CID 3058745

IUPAC3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine
SMILESNc1ccc(Cc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C12H12FN3/c13-10-4-1-8(2-5-10)7-9-3-6-11(14)16-12(9)15/h1-6H,7H2,(H4,14,15,16)
InChIKeyDUMKNGZKVPFVAR-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.98
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine

3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine (PubChem CID 3058745) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine
PubChem CID3058745
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine
SMILESNc1ccc(Cc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C12H12FN3/c13-10-4-1-8(2-5-10)7-9-3-6-11(14)16-12(9)15/h1-6H,7H2,(H4,14,15,16)
InChIKeyDUMKNGZKVPFVAR-UHFFFAOYSA-N
XLogP1.98
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-fluorophenyl)methyl]pyridine-2,6-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 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine (CID 3058745) is 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine is Nc1ccc(Cc2ccc(F)cc2)c(N)n1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine?
The InChIKey is DUMKNGZKVPFVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-10-4-1-8(2-5-10)7-9-3-6-11(14)16-12(9)15/h1-6H,7H2,(H4,14,15,16).
What are the key properties of 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine?
3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine has a molecular weight of 217.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 3058745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).