1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid

C12H11FN2O2 — CID 19781663

IUPAC1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1=CC=CN(Nc2cccc(F)c2)C1
InChIInChI=1S/C12H11FN2O2/c13-10-4-1-5-11(7-10)14-15-6-2-3-9(8-15)12(16)17/h1-7,14H,8H2,(H,16,17)
InChIKeyJGSJJDOAVMURDM-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid

1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid (PubChem CID 19781663) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid
PubChem CID19781663
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1=CC=CN(Nc2cccc(F)c2)C1
InChIInChI=1S/C12H11FN2O2/c13-10-4-1-5-11(7-10)14-15-6-2-3-9(8-15)12(16)17/h1-7,14H,8H2,(H,16,17)
InChIKeyJGSJJDOAVMURDM-UHFFFAOYSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid (CID 19781663) is 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid is O=C(O)C1=CC=CN(Nc2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid?
The InChIKey is JGSJJDOAVMURDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-4-1-5-11(7-10)14-15-6-2-3-9(8-15)12(16)17/h1-7,14H,8H2,(H,16,17).
What are the key properties of 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid?
1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroanilino)-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 19781663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).