2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid

C13H8F3NO2 — CID 133088994

IUPAC2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(F)c(-c2cccc(F)c2F)c1
InChIInChI=1S/C13H8F3NO2/c14-10-3-1-2-8(12(10)15)9-4-7(5-11(18)19)6-17-13(9)16/h1-4,6H,5H2,(H,18,19)
InChIKeyYRXHNPXYBMWBIU-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.79
Rot. Bonds3

About 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid

2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid (PubChem CID 133088994) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid
PubChem CID133088994
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(F)c(-c2cccc(F)c2F)c1
InChIInChI=1S/C13H8F3NO2/c14-10-3-1-2-8(12(10)15)9-4-7(5-11(18)19)6-17-13(9)16/h1-4,6H,5H2,(H,18,19)
InChIKeyYRXHNPXYBMWBIU-UHFFFAOYSA-N
XLogP2.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
2-[5-(2,3-difluorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133088999
2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid
CID 131870062
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118836266
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118830660
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522
2-(3,4-difluoro-5-phenylphenyl)acetic acid
CID 117372910
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
CID 133086696
2-(6-amino-5-phenyl-3-pyridinyl)acetic acid
CID 119010106
2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 53223063
6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 133086684

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid (CID 133088994) is 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(F)c(-c2cccc(F)c2F)c1.
What is the InChIKey of 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid?
The InChIKey is YRXHNPXYBMWBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-10-3-1-2-8(12(10)15)9-4-7(5-11(18)19)6-17-13(9)16/h1-4,6H,5H2,(H,18,19).
What are the key properties of 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid?
2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid has a molecular weight of 267.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid is sourced from PubChem (CID 133088994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).