6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid

C12H7F3N2O2 — CID 67208142

IUPAC6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESNc1ccc(F)c(-c2nc(C(=O)O)ccc2F)c1F
InChIInChI=1S/C12H7F3N2O2/c13-5-1-3-7(16)10(15)9(5)11-6(14)2-4-8(17-11)12(18)19/h1-4H,16H2,(H,18,19)
InChIKeyKEEMGMBTUKJNGT-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.45
Rot. Bonds2

About 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid

6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 67208142) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID67208142
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESNc1ccc(F)c(-c2nc(C(=O)O)ccc2F)c1F
InChIInChI=1S/C12H7F3N2O2/c13-5-1-3-7(16)10(15)9(5)11-6(14)2-4-8(17-11)12(18)19/h1-4H,16H2,(H,18,19)
InChIKeyKEEMGMBTUKJNGT-UHFFFAOYSA-N
XLogP2.45
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid (CID 67208142) is 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid is Nc1ccc(F)c(-c2nc(C(=O)O)ccc2F)c1F.
What is the InChIKey of 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is KEEMGMBTUKJNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-5-1-3-7(16)10(15)9(5)11-6(14)2-4-8(17-11)12(18)19/h1-4H,16H2,(H,18,19).
What are the key properties of 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 268.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 67208142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).