2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid

C9H10FNO3 — CID 18439512

IUPAC2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(CF)cc(=O)[nH]1
InChIInChI=1S/C9H10FNO3/c1-5(9(13)14)7-2-6(4-10)3-8(12)11-7/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyHBBLJPLLXHRMIC-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.03
Rot. Bonds3

About 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid

2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid (PubChem CID 18439512) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid
PubChem CID18439512
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(CF)cc(=O)[nH]1
InChIInChI=1S/C9H10FNO3/c1-5(9(13)14)7-2-6(4-10)3-8(12)11-7/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyHBBLJPLLXHRMIC-UHFFFAOYSA-N
XLogP1.03
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid?
The IUPAC name of 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid (CID 18439512) is 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid.
What is the SMILES notation for 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid?
The canonical SMILES for 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid is CC(C(=O)O)c1cc(CF)cc(=O)[nH]1.
What is the InChIKey of 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid?
The InChIKey is HBBLJPLLXHRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-5(9(13)14)7-2-6(4-10)3-8(12)11-7/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid?
2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid has a molecular weight of 199.18 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid is sourced from PubChem (CID 18439512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).