2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid

C8H8FNO2 — CID 79366521

IUPAC2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid
SMILESCc1cnccc1C(F)C(=O)O
InChIInChI=1S/C8H8FNO2/c1-5-4-10-3-2-6(5)7(9)8(11)12/h2-4,7H,1H3,(H,11,12)
InChIKeyOJUCHHMGZIOYIQ-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.49
Rot. Bonds2

About 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid

2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid (PubChem CID 79366521) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid
PubChem CID79366521
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid
SMILESCc1cnccc1C(F)C(=O)O
InChIInChI=1S/C8H8FNO2/c1-5-4-10-3-2-6(5)7(9)8(11)12/h2-4,7H,1H3,(H,11,12)
InChIKeyOJUCHHMGZIOYIQ-UHFFFAOYSA-N
XLogP1.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid
CID 81008054
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
4-butan-2-yl-3-methylpyridine
CID 66641815
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423
2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
CID 114699734
3-bromo-1-(3-methyl-4-pyridinyl)propane-1,2-diol
CID 171859479
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 130039959
2-amino-2-(3-hydroxy-4-pyridinyl)acetic acid
CID 55293514

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid (CID 79366521) is 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid is Cc1cnccc1C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid?
The InChIKey is OJUCHHMGZIOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5-4-10-3-2-6(5)7(9)8(11)12/h2-4,7H,1H3,(H,11,12).
What are the key properties of 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid?
2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid has a molecular weight of 169.16 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid is sourced from PubChem (CID 79366521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).