2-(3-fluoro-2-pyridinyl)propanoic acid

C8H8FNO2 — CID 91647505

IUPAC2-(3-fluoro-2-pyridinyl)propanoic acid
SMILESCC(C(=O)O)c1ncccc1F
InChIInChI=1S/C8H8FNO2/c1-5(8(11)12)7-6(9)3-2-4-10-7/h2-5H,1H3,(H,11,12)
InChIKeyNLPKFUWSHQAPJY-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.41
Rot. Bonds2

About 2-(3-fluoro-2-pyridinyl)propanoic acid

2-(3-fluoro-2-pyridinyl)propanoic acid (PubChem CID 91647505) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)propanoic acid
PubChem CID91647505
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-(3-fluoro-2-pyridinyl)propanoic acid
SMILESCC(C(=O)O)c1ncccc1F
InChIInChI=1S/C8H8FNO2/c1-5(8(11)12)7-6(9)3-2-4-10-7/h2-5H,1H3,(H,11,12)
InChIKeyNLPKFUWSHQAPJY-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
CID 104571788
2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
acetic acid;3-fluoro-2-methylpyridine
CID 175599570
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
3-(3-chloro-2-pyridinyl)butan-2-one
CID 63196359
3-(2-fluorophenyl)butan-2-one
CID 66436572
4-amino-3-(3-fluoro-2-pyridinyl)butanoic acid
CID 84668127
barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride
CID 173067684
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate
CID 176652584
methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate
CID 156875680
2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol
CID 131499215
2-(3-chloropyrazin-2-yl)propanoic acid
CID 175668378

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)propanoic acid (CID 91647505) is 2-(3-fluoro-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)propanoic acid is CC(C(=O)O)c1ncccc1F.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)propanoic acid?
The InChIKey is NLPKFUWSHQAPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5(8(11)12)7-6(9)3-2-4-10-7/h2-5H,1H3,(H,11,12).
What are the key properties of 2-(3-fluoro-2-pyridinyl)propanoic acid?
2-(3-fluoro-2-pyridinyl)propanoic acid has a molecular weight of 169.16 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)propanoic acid is sourced from PubChem (CID 91647505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).