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

C10H12FNO2 — CID 104571993

IUPAC2-(3-fluoro-2-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)c1ncccc1F
InChIInChI=1S/C10H12FNO2/c1-2-4-7(10(13)14)9-8(11)5-3-6-12-9/h3,5-7H,2,4H2,1H3,(H,13,14)
InChIKeyRSFICPDJVMYTLQ-UHFFFAOYSA-N
MW197.21 g/mol
LogP2.19
Rot. Bonds4

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

2-(3-fluoro-2-pyridinyl)pentanoic acid (PubChem CID 104571993) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)pentanoic acid
PubChem CID104571993
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-(3-fluoro-2-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)c1ncccc1F
InChIInChI=1S/C10H12FNO2/c1-2-4-7(10(13)14)9-8(11)5-3-6-12-9/h3,5-7H,2,4H2,1H3,(H,13,14)
InChIKeyRSFICPDJVMYTLQ-UHFFFAOYSA-N
XLogP2.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)pentanoic acid?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)pentanoic acid (CID 104571993) is 2-(3-fluoro-2-pyridinyl)pentanoic acid.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)pentanoic acid?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)pentanoic acid is CCCC(C(=O)O)c1ncccc1F.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)pentanoic acid?
The InChIKey is RSFICPDJVMYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-4-7(10(13)14)9-8(11)5-3-6-12-9/h3,5-7H,2,4H2,1H3,(H,13,14).
What are the key properties of 2-(3-fluoro-2-pyridinyl)pentanoic acid?
2-(3-fluoro-2-pyridinyl)pentanoic acid has a molecular weight of 197.21 g/mol, XLogP of 2.19, 4 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)pentanoic acid is sourced from PubChem (CID 104571993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).