6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine

C9H13ClFN3 — CID 22121249

IUPAC6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine
SMILESCC(C)(C)Nc1nc(N)c(Cl)cc1F
InChIInChI=1S/C9H13ClFN3/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H3,12,13,14)
InChIKeyBTIYGNABPHKGGS-UHFFFAOYSA-N
MW217.68 g/mol
LogP2.67
Rot. Bonds1

About 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine

6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine (PubChem CID 22121249) has the molecular formula C9H13ClFN3 and a molecular weight of 217.68 g/mol. Its IUPAC name is 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine
PubChem CID22121249
Molecular FormulaC9H13ClFN3
Molecular Weight217.68 g/mol
Exact Mass217.08
IUPAC Name6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine
SMILESCC(C)(C)Nc1nc(N)c(Cl)cc1F
InChIInChI=1S/C9H13ClFN3/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H3,12,13,14)
InChIKeyBTIYGNABPHKGGS-UHFFFAOYSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine?
The IUPAC name of 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine (CID 22121249) is 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine.
What is the SMILES notation for 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine?
The canonical SMILES for 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine is CC(C)(C)Nc1nc(N)c(Cl)cc1F.
What is the InChIKey of 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine?
The InChIKey is BTIYGNABPHKGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFN3/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H3,12,13,14).
What are the key properties of 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine?
6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine has a molecular weight of 217.68 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-3-chloro-5-fluoropyridine-2,6-diamine is sourced from PubChem (CID 22121249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).