6-butan-2-yl-3-fluoro-2-methylpyridine

C10H14FN — CID 134461280

IUPAC6-butan-2-yl-3-fluoro-2-methylpyridine
SMILESCCC(C)c1ccc(F)c(C)n1
InChIInChI=1S/C10H14FN/c1-4-7(2)10-6-5-9(11)8(3)12-10/h5-7H,4H2,1-3H3
InChIKeyRRVSOYBJLNGXQV-UHFFFAOYSA-N
MW167.23 g/mol
LogP3.04
Rot. Bonds2

About 6-butan-2-yl-3-fluoro-2-methylpyridine

6-butan-2-yl-3-fluoro-2-methylpyridine (PubChem CID 134461280) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 6-butan-2-yl-3-fluoro-2-methylpyridine.

Molecular Properties

Compound Name6-butan-2-yl-3-fluoro-2-methylpyridine
PubChem CID134461280
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name6-butan-2-yl-3-fluoro-2-methylpyridine
SMILESCCC(C)c1ccc(F)c(C)n1
InChIInChI=1S/C10H14FN/c1-4-7(2)10-6-5-9(11)8(3)12-10/h5-7H,4H2,1-3H3
InChIKeyRRVSOYBJLNGXQV-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-fluoro-2-methylpyridine?
The IUPAC name of 6-butan-2-yl-3-fluoro-2-methylpyridine (CID 134461280) is 6-butan-2-yl-3-fluoro-2-methylpyridine.
What is the SMILES notation for 6-butan-2-yl-3-fluoro-2-methylpyridine?
The canonical SMILES for 6-butan-2-yl-3-fluoro-2-methylpyridine is CCC(C)c1ccc(F)c(C)n1.
What is the InChIKey of 6-butan-2-yl-3-fluoro-2-methylpyridine?
The InChIKey is RRVSOYBJLNGXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-4-7(2)10-6-5-9(11)8(3)12-10/h5-7H,4H2,1-3H3.
What are the key properties of 6-butan-2-yl-3-fluoro-2-methylpyridine?
6-butan-2-yl-3-fluoro-2-methylpyridine has a molecular weight of 167.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-fluoro-2-methylpyridine is sourced from PubChem (CID 134461280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).