3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine

C10H16FN — CID 126590908

IUPAC3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine
SMILESCC1N=CC(F)=CC1C(C)(C)C
InChIInChI=1S/C10H16FN/c1-7-9(10(2,3)4)5-8(11)6-12-7/h5-7,9H,1-4H3
InChIKeyABFYYBIPQOBBTM-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.97
Rot. Bonds

About 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine

3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine (PubChem CID 126590908) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine
PubChem CID126590908
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine
SMILESCC1N=CC(F)=CC1C(C)(C)C
InChIInChI=1S/C10H16FN/c1-7-9(10(2,3)4)5-8(11)6-12-7/h5-7,9H,1-4H3
InChIKeyABFYYBIPQOBBTM-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine?
The IUPAC name of 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine (CID 126590908) is 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine is CC1N=CC(F)=CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine?
The InChIKey is ABFYYBIPQOBBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-7-9(10(2,3)4)5-8(11)6-12-7/h5-7,9H,1-4H3.
What are the key properties of 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine?
3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine has a molecular weight of 169.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-fluoro-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 126590908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).