2-(2,6-difluoro-3-pyridinyl)acetic acid

C7H5F2NO2 — CID 118998440

IUPAC2-(2,6-difluoro-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(F)nc1F
InChIInChI=1S/C7H5F2NO2/c8-5-2-1-4(3-6(11)12)7(9)10-5/h1-2H,3H2,(H,11,12)
InChIKeyCDRMVCHKUBSHMG-UHFFFAOYSA-N
MW173.12 g/mol
LogP0.99
Rot. Bonds2

About 2-(2,6-difluoro-3-pyridinyl)acetic acid

2-(2,6-difluoro-3-pyridinyl)acetic acid (PubChem CID 118998440) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2,6-difluoro-3-pyridinyl)acetic acid
PubChem CID118998440
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name2-(2,6-difluoro-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(F)nc1F
InChIInChI=1S/C7H5F2NO2/c8-5-2-1-4(3-6(11)12)7(9)10-5/h1-2H,3H2,(H,11,12)
InChIKeyCDRMVCHKUBSHMG-UHFFFAOYSA-N
XLogP0.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 50.99
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-chloro-2-fluoro-3-pyridinyl)acetic acid
CID 88531952
(2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344224
3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid
CID 175736079
2-[6-(2,6-dichlorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133091022
1-(2,6-difluoro-3-pyridinyl)-N-methylmethanamine
CID 53256636
2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637599
1-(2,6-difluoro-3-pyridinyl)propan-1-one
CID 53413972
benzyl 2,6-difluoropyridine-3-carboxylate
CID 20501992
2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
CID 133090701
(E)-3-(2,6-difluoro-3-pyridinyl)prop-2-enoic acid
CID 134227179
3-(2,6-difluoro-3-pyridinyl)prop-2-enoic acid
CID 169460349

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-pyridinyl)acetic acid?
The IUPAC name of 2-(2,6-difluoro-3-pyridinyl)acetic acid (CID 118998440) is 2-(2,6-difluoro-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2,6-difluoro-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(2,6-difluoro-3-pyridinyl)acetic acid is O=C(O)Cc1ccc(F)nc1F.
What is the InChIKey of 2-(2,6-difluoro-3-pyridinyl)acetic acid?
The InChIKey is CDRMVCHKUBSHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-5-2-1-4(3-6(11)12)7(9)10-5/h1-2H,3H2,(H,11,12).
What are the key properties of 2-(2,6-difluoro-3-pyridinyl)acetic acid?
2-(2,6-difluoro-3-pyridinyl)acetic acid has a molecular weight of 173.12 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-pyridinyl)acetic acid is sourced from PubChem (CID 118998440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).