1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid

C8H12FNO2 — CID 135152261

IUPAC1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)=C(F)C1
InChIInChI=1S/C8H12FNO2/c1-2-10-4-3-6(8(11)12)7(9)5-10/h2-5H2,1H3,(H,11,12)
InChIKeyHMASTDDCIFAFQG-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.02
Rot. Bonds2

About 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 135152261) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID135152261
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)=C(F)C1
InChIInChI=1S/C8H12FNO2/c1-2-10-4-3-6(8(11)12)7(9)5-10/h2-5H2,1H3,(H,11,12)
InChIKeyHMASTDDCIFAFQG-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 135152261) is 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid is CCN1CCC(C(=O)O)=C(F)C1.
What is the InChIKey of 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is HMASTDDCIFAFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-2-10-4-3-6(8(11)12)7(9)5-10/h2-5H2,1H3,(H,11,12).
What are the key properties of 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 173.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 135152261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).