4-(4-fluoro-2-pyridinyl)butanoic acid

C9H10FNO2 — CID 68878358

IUPAC4-(4-fluoro-2-pyridinyl)butanoic acid
SMILESO=C(O)CCCc1cc(F)ccn1
InChIInChI=1S/C9H10FNO2/c10-7-4-5-11-8(6-7)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13)
InChIKeyMCBGGYSPVBLYEC-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.63
Rot. Bonds4

About 4-(4-fluoro-2-pyridinyl)butanoic acid

4-(4-fluoro-2-pyridinyl)butanoic acid (PubChem CID 68878358) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 4-(4-fluoro-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(4-fluoro-2-pyridinyl)butanoic acid
PubChem CID68878358
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name4-(4-fluoro-2-pyridinyl)butanoic acid
SMILESO=C(O)CCCc1cc(F)ccn1
InChIInChI=1S/C9H10FNO2/c10-7-4-5-11-8(6-7)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13)
InChIKeyMCBGGYSPVBLYEC-UHFFFAOYSA-N
XLogP1.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-fluoroisoquinolin-1-yl)propanoic acid
CID 82577889
5-(4-methyl-2-pyridinyl)pentan-2-one
CID 15654481
3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115003999
(4-fluoro-2-pyridinyl)methylsulfanyl butanoate
CID 67711960
4-(2-cyclopropylpyrimidin-4-yl)butanoic acid
CID 83857577
5-pyrazin-2-ylpentanoic acid
CID 22934386
10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid
CID 151312840
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
8-pyrazin-2-yloctanoic acid
CID 67107978
4-(1,8-naphthyridin-2-yl)butanoic acid
CID 25419194
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
4-(4-aminopyrimidin-2-yl)butanoic acid
CID 68768286

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-pyridinyl)butanoic acid?
The IUPAC name of 4-(4-fluoro-2-pyridinyl)butanoic acid (CID 68878358) is 4-(4-fluoro-2-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(4-fluoro-2-pyridinyl)butanoic acid?
The canonical SMILES for 4-(4-fluoro-2-pyridinyl)butanoic acid is O=C(O)CCCc1cc(F)ccn1.
What is the InChIKey of 4-(4-fluoro-2-pyridinyl)butanoic acid?
The InChIKey is MCBGGYSPVBLYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-4-5-11-8(6-7)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13).
What are the key properties of 4-(4-fluoro-2-pyridinyl)butanoic acid?
4-(4-fluoro-2-pyridinyl)butanoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-pyridinyl)butanoic acid is sourced from PubChem (CID 68878358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).