5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid

C9H10FNO2 — CID 84658926

IUPAC5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1c(F)cncc1C(=O)O
InChIInChI=1S/C9H10FNO2/c1-5(2)8-6(9(12)13)3-11-4-7(8)10/h3-5H,1-2H3,(H,12,13)
InChIKeyOTDSTUHBUKGZQT-UHFFFAOYSA-N
MW183.18 g/mol
LogP2.04
Rot. Bonds2

About 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid

5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 84658926) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid
PubChem CID84658926
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1c(F)cncc1C(=O)O
InChIInChI=1S/C9H10FNO2/c1-5(2)8-6(9(12)13)3-11-4-7(8)10/h3-5H,1-2H3,(H,12,13)
InChIKeyOTDSTUHBUKGZQT-UHFFFAOYSA-N
XLogP2.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid (CID 84658926) is 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1c(F)cncc1C(=O)O.
What is the InChIKey of 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is OTDSTUHBUKGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5(2)8-6(9(12)13)3-11-4-7(8)10/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid?
5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 183.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 84658926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).