2-N-tert-butyl-3-fluoropyridine-2,6-diamine

C9H14FN3 — CID 22121230

IUPAC2-N-tert-butyl-3-fluoropyridine-2,6-diamine
SMILESCC(C)(C)Nc1nc(N)ccc1F
InChIInChI=1S/C9H14FN3/c1-9(2,3)13-8-6(10)4-5-7(11)12-8/h4-5H,1-3H3,(H3,11,12,13)
InChIKeyAYGUFALOIKVSIX-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.01
Rot. Bonds1

About 2-N-tert-butyl-3-fluoropyridine-2,6-diamine

2-N-tert-butyl-3-fluoropyridine-2,6-diamine (PubChem CID 22121230) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-N-tert-butyl-3-fluoropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-3-fluoropyridine-2,6-diamine
PubChem CID22121230
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name2-N-tert-butyl-3-fluoropyridine-2,6-diamine
SMILESCC(C)(C)Nc1nc(N)ccc1F
InChIInChI=1S/C9H14FN3/c1-9(2,3)13-8-6(10)4-5-7(11)12-8/h4-5H,1-3H3,(H3,11,12,13)
InChIKeyAYGUFALOIKVSIX-UHFFFAOYSA-N
XLogP2.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-3-fluoropyridine-2,6-diamine?
The IUPAC name of 2-N-tert-butyl-3-fluoropyridine-2,6-diamine (CID 22121230) is 2-N-tert-butyl-3-fluoropyridine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butyl-3-fluoropyridine-2,6-diamine?
The canonical SMILES for 2-N-tert-butyl-3-fluoropyridine-2,6-diamine is CC(C)(C)Nc1nc(N)ccc1F.
What is the InChIKey of 2-N-tert-butyl-3-fluoropyridine-2,6-diamine?
The InChIKey is AYGUFALOIKVSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-9(2,3)13-8-6(10)4-5-7(11)12-8/h4-5H,1-3H3,(H3,11,12,13).
What are the key properties of 2-N-tert-butyl-3-fluoropyridine-2,6-diamine?
2-N-tert-butyl-3-fluoropyridine-2,6-diamine has a molecular weight of 183.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-3-fluoropyridine-2,6-diamine is sourced from PubChem (CID 22121230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).