2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid

C8H6F3NO3 — CID 137346925

IUPAC2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(OC(F)F)c(F)cn1
InChIInChI=1S/C8H6F3NO3/c9-5-3-12-4(2-7(13)14)1-6(5)15-8(10)11/h1,3,8H,2H2,(H,13,14)
InChIKeyMONPOBFMELNTRZ-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid

2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid (PubChem CID 137346925) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid
PubChem CID137346925
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(OC(F)F)c(F)cn1
InChIInChI=1S/C8H6F3NO3/c9-5-3-12-4(2-7(13)14)1-6(5)15-8(10)11/h1,3,8H,2H2,(H,13,14)
InChIKeyMONPOBFMELNTRZ-UHFFFAOYSA-N
XLogP1.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
CID 121228470
2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid
CID 131870546
2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
CID 171031868
1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone
CID 167107554
2-(5-chloro-4-fluoro-2-pyridinyl)acetic acid
CID 130775275
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
CID 119004607
2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130095685
2-[6-(difluoromethoxy)pyrazin-2-yl]acetic acid
CID 118842760
2-(chloromethyl)-5-(difluoromethoxy)-4-fluoropyridine
CID 119007845
2-(4-fluoro-5-phenyl-2-pyridinyl)acetic acid
CID 133095784
2-(chloromethyl)-5-(difluoromethoxy)-4-fluorobenzoic acid
CID 171021997
2-[2-(chloromethyl)-3-(difluoromethoxy)-5-fluorophenyl]acetic acid
CID 171021492

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid (CID 137346925) is 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid is O=C(O)Cc1cc(OC(F)F)c(F)cn1.
What is the InChIKey of 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid?
The InChIKey is MONPOBFMELNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-5-3-12-4(2-7(13)14)1-6(5)15-8(10)11/h1,3,8H,2H2,(H,13,14).
What are the key properties of 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid?
2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid has a molecular weight of 221.13 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid is sourced from PubChem (CID 137346925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).