2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine

C11H18FN — CID 167149960

IUPAC2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine
SMILESCC1=CC(F)=CN(C)C1C(C)(C)C
InChIInChI=1S/C11H18FN/c1-8-6-9(12)7-13(5)10(8)11(2,3)4/h6-7,10H,1-5H3
InChIKeyHCSFGDPVUQYYRQ-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.10
Rot. Bonds

About 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine

2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine (PubChem CID 167149960) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine
PubChem CID167149960
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine
SMILESCC1=CC(F)=CN(C)C1C(C)(C)C
InChIInChI=1S/C11H18FN/c1-8-6-9(12)7-13(5)10(8)11(2,3)4/h6-7,10H,1-5H3
InChIKeyHCSFGDPVUQYYRQ-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine?
The IUPAC name of 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine (CID 167149960) is 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine.
What is the SMILES notation for 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine?
The canonical SMILES for 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine is CC1=CC(F)=CN(C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine?
The InChIKey is HCSFGDPVUQYYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-8-6-9(12)7-13(5)10(8)11(2,3)4/h6-7,10H,1-5H3.
What are the key properties of 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine?
2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine has a molecular weight of 183.27 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine is sourced from PubChem (CID 167149960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).