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

C12H13FN4 — CID 66589250

IUPAC4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine
SMILESNc1cc(Cc2ccc(F)cc2)c(N)c(N)n1
InChIInChI=1S/C12H13FN4/c13-9-3-1-7(2-4-9)5-8-6-10(14)17-12(16)11(8)15/h1-4,6H,5,15H2,(H4,14,16,17)
InChIKeyVVJFVVRFHOFBRB-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.56
Rot. Bonds2

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

4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine (PubChem CID 66589250) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine
PubChem CID66589250
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine
SMILESNc1cc(Cc2ccc(F)cc2)c(N)c(N)n1
InChIInChI=1S/C12H13FN4/c13-9-3-1-7(2-4-9)5-8-6-10(14)17-12(16)11(8)15/h1-4,6H,5,15H2,(H4,14,16,17)
InChIKeyVVJFVVRFHOFBRB-UHFFFAOYSA-N
XLogP1.56
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine (CID 66589250) is 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine is Nc1cc(Cc2ccc(F)cc2)c(N)c(N)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine?
The InChIKey is VVJFVVRFHOFBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-9-3-1-7(2-4-9)5-8-6-10(14)17-12(16)11(8)15/h1-4,6H,5,15H2,(H4,14,16,17).
What are the key properties of 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine?
4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine has a molecular weight of 232.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 66589250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).