2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid

C8H5ClF3NO2 — CID 119004828

IUPAC2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)c(Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF3NO2/c9-7-4(10)1-3(2-5(14)15)6(13-7)8(11)12/h1,8H,2H2,(H,14,15)
InChIKeyCCXAMASHLDKEON-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.44
Rot. Bonds3

About 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid

2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid (PubChem CID 119004828) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
PubChem CID119004828
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)c(Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF3NO2/c9-7-4(10)1-3(2-5(14)15)6(13-7)8(11)12/h1,8H,2H2,(H,14,15)
InChIKeyCCXAMASHLDKEON-UHFFFAOYSA-N
XLogP2.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.44
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-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130109845
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
2-[6-amino-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119021321
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118996818
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 118854250
2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide
CID 119016340
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 134671249
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid (CID 119004828) is 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid is O=C(O)Cc1cc(F)c(Cl)nc1C(F)F.
What is the InChIKey of 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid?
The InChIKey is CCXAMASHLDKEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c9-7-4(10)1-3(2-5(14)15)6(13-7)8(11)12/h1,8H,2H2,(H,14,15).
What are the key properties of 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid?
2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid has a molecular weight of 239.58 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid is sourced from PubChem (CID 119004828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).