tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin

C10H14FNSn — CID 163210077

IUPACtert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin
SMILESCc1cc(F)cnc1[Sn]C(C)(C)C
InChIInChI=1S/C6H5FN.C4H9.Sn/c1-5-2-6(7)4-8-3-5;1-4(2)3;/h2,4H,1H3;1-3H3;
InChIKeyNXGSHHGEWLUTQF-UHFFFAOYSA-N
MW285.94 g/mol
LogP2.08
Rot. Bonds1

About tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin

tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin (PubChem CID 163210077) has the molecular formula C10H14FNSn and a molecular weight of 285.94 g/mol. Its IUPAC name is tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin.

Molecular Properties

Compound Nametert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin
PubChem CID163210077
Molecular FormulaC10H14FNSn
Molecular Weight285.94 g/mol
Exact Mass287.01
IUPAC Nametert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin
SMILESCc1cc(F)cnc1[Sn]C(C)(C)C
InChIInChI=1S/C6H5FN.C4H9.Sn/c1-5-2-6(7)4-8-3-5;1-4(2)3;/h2,4H,1H3;1-3H3;
InChIKeyNXGSHHGEWLUTQF-UHFFFAOYSA-N
XLogP2.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.94
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin?
The IUPAC name of tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin (CID 163210077) is tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin.
What is the SMILES notation for tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin?
The canonical SMILES for tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin is Cc1cc(F)cnc1[Sn]C(C)(C)C.
What is the InChIKey of tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin?
The InChIKey is NXGSHHGEWLUTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN.C4H9.Sn/c1-5-2-6(7)4-8-3-5;1-4(2)3;/h2,4H,1H3;1-3H3;.
What are the key properties of tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin?
tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin has a molecular weight of 285.94 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin is sourced from PubChem (CID 163210077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).