2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid

C8H5F4NO2 — CID 119000090

IUPAC2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(F)nc1F
InChIInChI=1S/C8H5F4NO2/c9-6(10)4-1-3(2-5(14)15)7(11)13-8(4)12/h1,6H,2H2,(H,14,15)
InChIKeyPDCVEOJEEUWWOX-UHFFFAOYSA-N
MW223.12 g/mol
LogP1.92
Rot. Bonds3

About 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid

2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid (PubChem CID 119000090) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
PubChem CID119000090
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(F)nc1F
InChIInChI=1S/C8H5F4NO2/c9-6(10)4-1-3(2-5(14)15)7(11)13-8(4)12/h1,6H,2H2,(H,14,15)
InChIKeyPDCVEOJEEUWWOX-UHFFFAOYSA-N
XLogP1.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 51.92
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-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118836900
2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130096523
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522
2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082399
2-[3-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133103727
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
CID 118846525
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130109845
ethyl 2-[5-(difluoromethyl)-2-fluoro-6-iodo-3-pyridinyl]acetate
CID 133105380
ethyl 5-(difluoromethyl)-2,6-difluoropyridine-3-carboxylate
CID 134677162

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid (CID 119000090) is 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)F)c(F)nc1F.
What is the InChIKey of 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid?
The InChIKey is PDCVEOJEEUWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-6(10)4-1-3(2-5(14)15)7(11)13-8(4)12/h1,6H,2H2,(H,14,15).
What are the key properties of 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid?
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid has a molecular weight of 223.12 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid is sourced from PubChem (CID 119000090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).