5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid

C12H8F2N2O3 — CID 114047617

IUPAC5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid
SMILESNc1cnc(Oc2ccc(F)c(F)c2)c(C(=O)O)c1
InChIInChI=1S/C12H8F2N2O3/c13-9-2-1-7(4-10(9)14)19-11-8(12(17)18)3-6(15)5-16-11/h1-5H,15H2,(H,17,18)
InChIKeyKURFNOZUCBZKII-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.43
Rot. Bonds3

About 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid

5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 114047617) has the molecular formula C12H8F2N2O3 and a molecular weight of 266.20 g/mol. Its IUPAC name is 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid
PubChem CID114047617
Molecular FormulaC12H8F2N2O3
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid
SMILESNc1cnc(Oc2ccc(F)c(F)c2)c(C(=O)O)c1
InChIInChI=1S/C12H8F2N2O3/c13-9-2-1-7(4-10(9)14)19-11-8(12(17)18)3-6(15)5-16-11/h1-5H,15H2,(H,17,18)
InChIKeyKURFNOZUCBZKII-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-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114047540
2-amino-5-(3,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 114195658
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
5-amino-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 61358803
2-(3-bromo-4-fluorophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629546
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
CID 114213929

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid (CID 114047617) is 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid is Nc1cnc(Oc2ccc(F)c(F)c2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is KURFNOZUCBZKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3/c13-9-2-1-7(4-10(9)14)19-11-8(12(17)18)3-6(15)5-16-11/h1-5H,15H2,(H,17,18).
What are the key properties of 5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid?
5-amino-2-(3,4-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-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 114047617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).