2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid

C8H8FNO2 — CID 130970296

IUPAC2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
SMILESCc1ccnc(CC(=O)O)c1F
InChIInChI=1S/C8H8FNO2/c1-5-2-3-10-6(8(5)9)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyRJSICMQQAHSWLB-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.16
Rot. Bonds2

About 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid

2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid (PubChem CID 130970296) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
PubChem CID130970296
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
SMILESCc1ccnc(CC(=O)O)c1F
InChIInChI=1S/C8H8FNO2/c1-5-2-3-10-6(8(5)9)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyRJSICMQQAHSWLB-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid (CID 130970296) is 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid is Cc1ccnc(CC(=O)O)c1F.
What is the InChIKey of 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid?
The InChIKey is RJSICMQQAHSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5-2-3-10-6(8(5)9)4-7(11)12/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid?
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid has a molecular weight of 169.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 130970296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).