2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid

C15H13FN2O2 — CID 82306243

IUPAC2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CC2)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN2O2/c16-11-3-1-9(2-4-11)13-7-10(15(19)20)8-14(18-13)17-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,17,18)(H,19,20)
InChIKeyROZCJPNNIPJXSJ-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.16
Rot. Bonds4

About 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid

2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid (PubChem CID 82306243) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid
PubChem CID82306243
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CC2)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN2O2/c16-11-3-1-9(2-4-11)13-7-10(15(19)20)8-14(18-13)17-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,17,18)(H,19,20)
InChIKeyROZCJPNNIPJXSJ-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid (CID 82306243) is 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(NC2CC2)nc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is ROZCJPNNIPJXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-11-3-1-9(2-4-11)13-7-10(15(19)20)8-14(18-13)17-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid?
2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 82306243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).