tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate

C19H22FNO2 — CID 58447700

IUPACtert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate
SMILESCc1cc(-c2cc(F)c(CC(=O)OC(C)(C)C)cc2C)ccn1
InChIInChI=1S/C19H22FNO2/c1-12-8-15(10-18(22)23-19(3,4)5)17(20)11-16(12)14-6-7-21-13(2)9-14/h6-9,11H,10H2,1-5H3
InChIKeyNDQKDCSVBCKFGI-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.39
Rot. Bonds3

About tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate

tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate (PubChem CID 58447700) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate
PubChem CID58447700
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Nametert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate
SMILESCc1cc(-c2cc(F)c(CC(=O)OC(C)(C)C)cc2C)ccn1
InChIInChI=1S/C19H22FNO2/c1-12-8-15(10-18(22)23-19(3,4)5)17(20)11-16(12)14-6-7-21-13(2)9-14/h6-9,11H,10H2,1-5H3
InChIKeyNDQKDCSVBCKFGI-UHFFFAOYSA-N
XLogP4.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate?
The IUPAC name of tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate (CID 58447700) is tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate.
What is the SMILES notation for tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate?
The canonical SMILES for tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate is Cc1cc(-c2cc(F)c(CC(=O)OC(C)(C)C)cc2C)ccn1.
What is the InChIKey of tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate?
The InChIKey is NDQKDCSVBCKFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-12-8-15(10-18(22)23-19(3,4)5)17(20)11-16(12)14-6-7-21-13(2)9-14/h6-9,11H,10H2,1-5H3.
What are the key properties of tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate?
tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate has a molecular weight of 315.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetate is sourced from PubChem (CID 58447700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).