2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid

C8H6F3NO2 — CID 130096523

IUPAC2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)F)c(F)n1
InChIInChI=1S/C8H6F3NO2/c9-7(10)5-2-1-4(3-6(13)14)12-8(5)11/h1-2,7H,3H2,(H,13,14)
InChIKeyMPNMNHVYUVFNFL-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.79
Rot. Bonds3

About 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid

2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid (PubChem CID 130096523) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
PubChem CID130096523
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)F)c(F)n1
InChIInChI=1S/C8H6F3NO2/c9-7(10)5-2-1-4(3-6(13)14)12-8(5)11/h1-2,7H,3H2,(H,13,14)
InChIKeyMPNMNHVYUVFNFL-UHFFFAOYSA-N
XLogP1.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.79
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-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 119015163
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130096479
2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118836900
2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082399
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
2-[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089720
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
CID 130073451

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid (CID 130096523) is 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(C(F)F)c(F)n1.
What is the InChIKey of 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid?
The InChIKey is MPNMNHVYUVFNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-7(10)5-2-1-4(3-6(13)14)12-8(5)11/h1-2,7H,3H2,(H,13,14).
What are the key properties of 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid?
2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid has a molecular weight of 205.13 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid is sourced from PubChem (CID 130096523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).