2-tert-butyl-6-fluoropyridin-4-amine

C9H13FN2 — CID 155207276

IUPAC2-tert-butyl-6-fluoropyridin-4-amine
SMILESCC(C)(C)c1cc(N)cc(F)n1
InChIInChI=1S/C9H13FN2/c1-9(2,3)7-4-6(11)5-8(10)12-7/h4-5H,1-3H3,(H2,11,12)
InChIKeyCCDDRKCIXRKLNG-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.10
Rot. Bonds

About 2-tert-butyl-6-fluoropyridin-4-amine

2-tert-butyl-6-fluoropyridin-4-amine (PubChem CID 155207276) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-tert-butyl-6-fluoropyridin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-fluoropyridin-4-amine
PubChem CID155207276
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name2-tert-butyl-6-fluoropyridin-4-amine
SMILESCC(C)(C)c1cc(N)cc(F)n1
InChIInChI=1S/C9H13FN2/c1-9(2,3)7-4-6(11)5-8(10)12-7/h4-5H,1-3H3,(H2,11,12)
InChIKeyCCDDRKCIXRKLNG-UHFFFAOYSA-N
XLogP2.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-fluoropyridin-4-amine?
The IUPAC name of 2-tert-butyl-6-fluoropyridin-4-amine (CID 155207276) is 2-tert-butyl-6-fluoropyridin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-fluoropyridin-4-amine?
The canonical SMILES for 2-tert-butyl-6-fluoropyridin-4-amine is CC(C)(C)c1cc(N)cc(F)n1.
What is the InChIKey of 2-tert-butyl-6-fluoropyridin-4-amine?
The InChIKey is CCDDRKCIXRKLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-9(2,3)7-4-6(11)5-8(10)12-7/h4-5H,1-3H3,(H2,11,12).
What are the key properties of 2-tert-butyl-6-fluoropyridin-4-amine?
2-tert-butyl-6-fluoropyridin-4-amine has a molecular weight of 168.22 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-fluoropyridin-4-amine is sourced from PubChem (CID 155207276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).