(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid

C8H8FNO3 — CID 167014812

IUPAC(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
SMILESCO[C@H](C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C8H8FNO3/c1-13-7(8(11)12)6-3-2-5(9)4-10-6/h2-4,7H,1H3,(H,11,12)/t7-/m0/s1
InChIKeyQPCOPSGJQQPPAQ-ZETCQYMHSA-N
MW185.15 g/mol
LogP0.99
Rot. Bonds3

About (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid

(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid (PubChem CID 167014812) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
PubChem CID167014812
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
SMILESCO[C@H](C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C8H8FNO3/c1-13-7(8(11)12)6-3-2-5(9)4-10-6/h2-4,7H,1H3,(H,11,12)/t7-/m0/s1
InChIKeyQPCOPSGJQQPPAQ-ZETCQYMHSA-N
XLogP0.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
CID 83128638
methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate
CID 83119608
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl] methanesulfonate
CID 89392644
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927
4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877149
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]propanamide
CID 164734546
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659957
3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
CID 83128740

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid?
The IUPAC name of (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid (CID 167014812) is (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid.
What is the SMILES notation for (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid?
The canonical SMILES for (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid is CO[C@H](C(=O)O)c1ccc(F)cn1.
What is the InChIKey of (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid?
The InChIKey is QPCOPSGJQQPPAQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-13-7(8(11)12)6-3-2-5(9)4-10-6/h2-4,7H,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid?
(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid has a molecular weight of 185.15 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid is sourced from PubChem (CID 167014812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).