5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid

C14H13FN2O2 — CID 12640211

IUPAC5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)nc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-9(10-2-4-11(15)5-3-10)17-12-6-7-13(14(18)19)16-8-12/h2-9,17H,1H3,(H,18,19)
InChIKeyWJSPCLZUDZTMPD-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.09
Rot. Bonds4

About 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid

5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 12640211) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid
PubChem CID12640211
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)nc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-9(10-2-4-11(15)5-3-10)17-12-6-7-13(14(18)19)16-8-12/h2-9,17H,1H3,(H,18,19)
InChIKeyWJSPCLZUDZTMPD-UHFFFAOYSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid (CID 12640211) is 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid is CC(Nc1ccc(C(=O)O)nc1)c1ccc(F)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is WJSPCLZUDZTMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9(10-2-4-11(15)5-3-10)17-12-6-7-13(14(18)19)16-8-12/h2-9,17H,1H3,(H,18,19).
What are the key properties of 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid?
5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).