3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid

C16H17FN2O2 — CID 156541690

IUPAC3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(-c2ccc(F)c(N)n2)c1)C(=O)O
InChIInChI=1S/C16H17FN2O2/c1-16(2,15(20)21)9-10-4-3-5-11(8-10)13-7-6-12(17)14(18)19-13/h3-8H,9H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyCRRVLNWCXDBLKM-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.12
Rot. Bonds4

About 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid

3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid (PubChem CID 156541690) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
PubChem CID156541690
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(-c2ccc(F)c(N)n2)c1)C(=O)O
InChIInChI=1S/C16H17FN2O2/c1-16(2,15(20)21)9-10-4-3-5-11(8-10)13-7-6-12(17)14(18)19-13/h3-8H,9H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyCRRVLNWCXDBLKM-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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Related Compounds

3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10200045
(E)-3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-non-4-enoic acid
CID 44396497
9-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]nonanoic acid
CID 122499690
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 122499699
(3S)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]nonanoic acid
CID 122499703
2-[3-[4,6-Bis(difluoromethyl)pyridin-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 73777137
2-[4-[(6-Methyl-2-pyridinyl)amino]phenyl]propanoic acid
CID 13054256
3-[4-[6-[2-(Dimethylamino)ethyl-methylamino]-2-pyridinyl]phenyl]propanoic acid
CID 172438369
(3S)-3-(3-fluorophenyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 11429061
3-[4-[6-[Hexylcarbamoyl(methyl)amino]pyridin-2-yl]-3-(trifluoromethyl)phenyl]propanoic acid
CID 11676785
(2S)-2-(3-fluorophenyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 53994096
(2R)-2-(3-fluorophenyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 53994097

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid (CID 156541690) is 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid is CC(C)(Cc1cccc(-c2ccc(F)c(N)n2)c1)C(=O)O.
What is the InChIKey of 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is CRRVLNWCXDBLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-16(2,15(20)21)9-10-4-3-5-11(8-10)13-7-6-12(17)14(18)19-13/h3-8H,9H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 3-[3-(6-amino-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
3-[3-(6-amino-5-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-5-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 156541690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).