3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid

C16H16F2N2O2 — CID 156541303

IUPAC3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(F)c(-c2nc(N)ccc2F)c1)C(=O)O
InChIInChI=1S/C16H16F2N2O2/c1-16(2,15(21)22)8-9-3-4-11(17)10(7-9)14-12(18)5-6-13(19)20-14/h3-7H,8H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyWPTBNGOVSDGDIT-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.26
Rot. Bonds4

About 3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid

3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid (PubChem CID 156541303) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid
PubChem CID156541303
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(F)c(-c2nc(N)ccc2F)c1)C(=O)O
InChIInChI=1S/C16H16F2N2O2/c1-16(2,15(21)22)8-9-3-4-11(17)10(7-9)14-12(18)5-6-13(19)20-14/h3-7H,8H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyWPTBNGOVSDGDIT-UHFFFAOYSA-N
XLogP3.26
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.26
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)-4-fluorophenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid (CID 156541303) is 3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid is CC(C)(Cc1ccc(F)c(-c2nc(N)ccc2F)c1)C(=O)O.
What is the InChIKey of 3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid?
The InChIKey is WPTBNGOVSDGDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-16(2,15(21)22)8-9-3-4-11(17)10(7-9)14-12(18)5-6-13(19)20-14/h3-7H,8H2,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of 3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid?
3-[3-(6-amino-3-fluoro-2-pyridinyl)-4-fluorophenyl]-2,2-dimethylpropanoic acid has a molecular weight of 306.31 g/mol, XLogP of 3.26, 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)-4-fluorophenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 156541303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).