3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid

C16H17FN2O2 — CID 156541662

IUPAC3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(-c2nc(N)ccc2F)c1)C(=O)O
InChIInChI=1S/C16H17FN2O2/c1-16(2,15(20)21)9-10-4-3-5-11(8-10)14-12(17)6-7-13(18)19-14/h3-8H,9H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyWHEAVGXOBLUSTK-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.12
Rot. Bonds4

About 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid

3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid (PubChem CID 156541662) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
PubChem CID156541662
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(-c2nc(N)ccc2F)c1)C(=O)O
InChIInChI=1S/C16H17FN2O2/c1-16(2,15(20)21)9-10-4-3-5-11(8-10)14-12(17)6-7-13(18)19-14/h3-8H,9H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyWHEAVGXOBLUSTK-UHFFFAOYSA-N
XLogP3.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid (CID 156541662) is 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid is CC(C)(Cc1cccc(-c2nc(N)ccc2F)c1)C(=O)O.
What is the InChIKey of 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is WHEAVGXOBLUSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-16(2,15(20)21)9-10-4-3-5-11(8-10)14-12(17)6-7-13(18)19-14/h3-8H,9H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 156541662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).