N-tert-butyl-4-fluoropyridin-2-amine

C9H13FN2 — CID 138648443

IUPACN-tert-butyl-4-fluoropyridin-2-amine
SMILESCC(C)(C)Nc1cc(F)ccn1
InChIInChI=1S/C9H13FN2/c1-9(2,3)12-8-6-7(10)4-5-11-8/h4-6H,1-3H3,(H,11,12)
InChIKeyNAQJIRUTYVPVFI-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.43
Rot. Bonds1

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

N-tert-butyl-4-fluoropyridin-2-amine (PubChem CID 138648443) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is N-tert-butyl-4-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-fluoropyridin-2-amine
PubChem CID138648443
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC NameN-tert-butyl-4-fluoropyridin-2-amine
SMILESCC(C)(C)Nc1cc(F)ccn1
InChIInChI=1S/C9H13FN2/c1-9(2,3)12-8-6-7(10)4-5-11-8/h4-6H,1-3H3,(H,11,12)
InChIKeyNAQJIRUTYVPVFI-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-fluoropyridin-2-amine?
The IUPAC name of N-tert-butyl-4-fluoropyridin-2-amine (CID 138648443) is N-tert-butyl-4-fluoropyridin-2-amine.
What is the SMILES notation for N-tert-butyl-4-fluoropyridin-2-amine?
The canonical SMILES for N-tert-butyl-4-fluoropyridin-2-amine is CC(C)(C)Nc1cc(F)ccn1.
What is the InChIKey of N-tert-butyl-4-fluoropyridin-2-amine?
The InChIKey is NAQJIRUTYVPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-9(2,3)12-8-6-7(10)4-5-11-8/h4-6H,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-4-fluoropyridin-2-amine?
N-tert-butyl-4-fluoropyridin-2-amine has a molecular weight of 168.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluoropyridin-2-amine is sourced from PubChem (CID 138648443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).