5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid

C12H8F2N2O3 — CID 81438869

IUPAC5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H8F2N2O3/c13-7-2-8(14)4-9(3-7)19-11-10(15)1-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeySFSMUOCAGTWKRZ-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.43
Rot. Bonds3

About 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid

5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 81438869) has the molecular formula C12H8F2N2O3 and a molecular weight of 266.20 g/mol. Its IUPAC name is 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
PubChem CID81438869
Molecular FormulaC12H8F2N2O3
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H8F2N2O3/c13-7-2-8(14)4-9(3-7)19-11-10(15)1-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeySFSMUOCAGTWKRZ-UHFFFAOYSA-N
XLogP2.43
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
CID 81447219
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid
CID 81439064
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid (CID 81438869) is 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Oc1cc(F)cc(F)c1.
What is the InChIKey of 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is SFSMUOCAGTWKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3/c13-7-2-8(14)4-9(3-7)19-11-10(15)1-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18).
What are the key properties of 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid?
5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 266.20 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81438869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).