2-[6-(fluoromethyl)-2-pyridinyl]acetic acid

C8H8FNO2 — CID 84765522

IUPAC2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cccc(CF)n1
InChIInChI=1S/C8H8FNO2/c9-5-7-3-1-2-6(10-7)4-8(11)12/h1-3H,4-5H2,(H,11,12)
InChIKeyDWKCLPQYKWCJCN-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.18
Rot. Bonds3

About 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid

2-[6-(fluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 84765522) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
PubChem CID84765522
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cccc(CF)n1
InChIInChI=1S/C8H8FNO2/c9-5-7-3-1-2-6(10-7)4-8(11)12/h1-3H,4-5H2,(H,11,12)
InChIKeyDWKCLPQYKWCJCN-UHFFFAOYSA-N
XLogP1.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide
CID 153490406
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide
CID 153490422
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
CID 131847838
CID 131847838
2,6-bis(fluoromethyl)pyridine;formamide
CID 174876959
2-[6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 119023721
2-(6-ethynyl-2-pyridinyl)acetic acid
CID 74892598
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)
CID 153490401
2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetic acid
CID 84676771
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
2-(6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 46316923

Frequently Asked Questions

What is the IUPAC name of 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid (CID 84765522) is 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1cccc(CF)n1.
What is the InChIKey of 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is DWKCLPQYKWCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-5-7-3-1-2-6(10-7)4-8(11)12/h1-3H,4-5H2,(H,11,12).
What are the key properties of 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid?
2-[6-(fluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 169.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(fluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 84765522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).