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

C8H6F3NO3 — CID 131870546

IUPAC2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(OC(F)F)ncc1F
InChIInChI=1S/C8H6F3NO3/c9-5-3-12-6(15-8(10)11)1-4(5)2-7(13)14/h1,3,8H,2H2,(H,13,14)
InChIKeyCIJDYHKBGQKELM-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.45
Rot. Bonds4

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

2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid (PubChem CID 131870546) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid
PubChem CID131870546
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(OC(F)F)ncc1F
InChIInChI=1S/C8H6F3NO3/c9-5-3-12-6(15-8(10)11)1-4(5)2-7(13)14/h1,3,8H,2H2,(H,13,14)
InChIKeyCIJDYHKBGQKELM-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

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Related Compounds

2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid
CID 137346925
2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid
CID 130902433
4-chloro-2-(difluoromethoxy)-5-fluoropyridine
CID 118822771
1-[[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]methyl]-3-[3-(trifluoromethyl)cyclobutyl]urea;molecular hydrogen
CID 168892288
2-[6-(difluoromethoxy)pyrazin-2-yl]acetic acid
CID 118842760
4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
CID 121228470
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
CID 119004607
2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
CID 171031868
2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid
CID 171003435
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
2-[5-(difluoromethoxy)-3-fluoro-2-formylphenyl]acetic acid
CID 171026289

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid (CID 131870546) is 2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid is O=C(O)Cc1cc(OC(F)F)ncc1F.
What is the InChIKey of 2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid?
The InChIKey is CIJDYHKBGQKELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-5-3-12-6(15-8(10)11)1-4(5)2-7(13)14/h1,3,8H,2H2,(H,13,14).
What are the key properties of 2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid?
2-[2-(difluoromethoxy)-5-fluoro-4-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-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid is sourced from PubChem (CID 131870546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).