3-tert-butyl-5-fluoro-2-methoxypyridine

C10H14FNO — CID 126576651

IUPAC3-tert-butyl-5-fluoro-2-methoxypyridine
SMILESCOc1ncc(F)cc1C(C)(C)C
InChIInChI=1S/C10H14FNO/c1-10(2,3)8-5-7(11)6-12-9(8)13-4/h5-6H,1-4H3
InChIKeyATDLRLGCPLLKCR-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.53
Rot. Bonds1

About 3-tert-butyl-5-fluoro-2-methoxypyridine

3-tert-butyl-5-fluoro-2-methoxypyridine (PubChem CID 126576651) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-tert-butyl-5-fluoro-2-methoxypyridine.

Molecular Properties

Compound Name3-tert-butyl-5-fluoro-2-methoxypyridine
PubChem CID126576651
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-tert-butyl-5-fluoro-2-methoxypyridine
SMILESCOc1ncc(F)cc1C(C)(C)C
InChIInChI=1S/C10H14FNO/c1-10(2,3)8-5-7(11)6-12-9(8)13-4/h5-6H,1-4H3
InChIKeyATDLRLGCPLLKCR-UHFFFAOYSA-N
XLogP2.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-fluoro-2-methoxypyridine?
The IUPAC name of 3-tert-butyl-5-fluoro-2-methoxypyridine (CID 126576651) is 3-tert-butyl-5-fluoro-2-methoxypyridine.
What is the SMILES notation for 3-tert-butyl-5-fluoro-2-methoxypyridine?
The canonical SMILES for 3-tert-butyl-5-fluoro-2-methoxypyridine is COc1ncc(F)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-fluoro-2-methoxypyridine?
The InChIKey is ATDLRLGCPLLKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(2,3)8-5-7(11)6-12-9(8)13-4/h5-6H,1-4H3.
What are the key properties of 3-tert-butyl-5-fluoro-2-methoxypyridine?
3-tert-butyl-5-fluoro-2-methoxypyridine has a molecular weight of 183.23 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-fluoro-2-methoxypyridine is sourced from PubChem (CID 126576651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).