5-fluoro-6-propylpyridine-3-carboxylic acid

C9H10FNO2 — CID 145419429

IUPAC5-fluoro-6-propylpyridine-3-carboxylic acid
SMILESCCCc1ncc(C(=O)O)cc1F
InChIInChI=1S/C9H10FNO2/c1-2-3-8-7(10)4-6(5-11-8)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyWKKCXITVGQPXMW-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.87
Rot. Bonds3

About 5-fluoro-6-propylpyridine-3-carboxylic acid

5-fluoro-6-propylpyridine-3-carboxylic acid (PubChem CID 145419429) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 5-fluoro-6-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-propylpyridine-3-carboxylic acid
PubChem CID145419429
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name5-fluoro-6-propylpyridine-3-carboxylic acid
SMILESCCCc1ncc(C(=O)O)cc1F
InChIInChI=1S/C9H10FNO2/c1-2-3-8-7(10)4-6(5-11-8)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyWKKCXITVGQPXMW-UHFFFAOYSA-N
XLogP1.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propylpyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-propylpyridine-3-carboxylic acid (CID 145419429) is 5-fluoro-6-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-propylpyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-propylpyridine-3-carboxylic acid is CCCc1ncc(C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-6-propylpyridine-3-carboxylic acid?
The InChIKey is WKKCXITVGQPXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-2-3-8-7(10)4-6(5-11-8)9(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-fluoro-6-propylpyridine-3-carboxylic acid?
5-fluoro-6-propylpyridine-3-carboxylic acid has a molecular weight of 183.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 145419429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).