3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid

C10H12FNO3 — CID 84679533

IUPAC3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid
SMILESCOc1ccc(F)c(C(C)CC(=O)O)n1
InChIInChI=1S/C10H12FNO3/c1-6(5-9(13)14)10-7(11)3-4-8(12-10)15-2/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyWQOJLVWOYMWMJN-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.81
Rot. Bonds4

About 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid

3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid (PubChem CID 84679533) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid
PubChem CID84679533
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid
SMILESCOc1ccc(F)c(C(C)CC(=O)O)n1
InChIInChI=1S/C10H12FNO3/c1-6(5-9(13)14)10-7(11)3-4-8(12-10)15-2/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyWQOJLVWOYMWMJN-UHFFFAOYSA-N
XLogP1.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid?
The IUPAC name of 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid (CID 84679533) is 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid.
What is the SMILES notation for 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid?
The canonical SMILES for 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid is COc1ccc(F)c(C(C)CC(=O)O)n1.
What is the InChIKey of 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid?
The InChIKey is WQOJLVWOYMWMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-6(5-9(13)14)10-7(11)3-4-8(12-10)15-2/h3-4,6H,5H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid?
3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid is sourced from PubChem (CID 84679533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).