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

C13H15FN4 — CID 67457883

IUPAC4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
SMILESNc1cc(CCc2ccc(F)cc2)c(N)c(N)n1
InChIInChI=1S/C13H15FN4/c14-10-5-2-8(3-6-10)1-4-9-7-11(15)18-13(17)12(9)16/h2-3,5-7H,1,4,16H2,(H4,15,17,18)
InChIKeyDOBBBTBVFUPATB-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.75
Rot. Bonds3

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

4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine (PubChem CID 67457883) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
PubChem CID67457883
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
SMILESNc1cc(CCc2ccc(F)cc2)c(N)c(N)n1
InChIInChI=1S/C13H15FN4/c14-10-5-2-8(3-6-10)1-4-9-7-11(15)18-13(17)12(9)16/h2-3,5-7H,1,4,16H2,(H4,15,17,18)
InChIKeyDOBBBTBVFUPATB-UHFFFAOYSA-N
XLogP1.75
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine (CID 67457883) is 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine is Nc1cc(CCc2ccc(F)cc2)c(N)c(N)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is DOBBBTBVFUPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-10-5-2-8(3-6-10)1-4-9-7-11(15)18-13(17)12(9)16/h2-3,5-7H,1,4,16H2,(H4,15,17,18).
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 246.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 67457883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).