4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide

C12H9F2N3O2 — CID 57470879

IUPAC4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2c(N)ccc(F)c2F)ccn1
InChIInChI=1S/C12H9F2N3O2/c13-7-1-2-8(15)11(10(7)14)19-6-3-4-17-9(5-6)12(16)18/h1-5H,15H2,(H2,16,18)
InChIKeyMOQWZGCARFISFQ-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.83
Rot. Bonds3

About 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide

4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide (PubChem CID 57470879) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide
PubChem CID57470879
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2c(N)ccc(F)c2F)ccn1
InChIInChI=1S/C12H9F2N3O2/c13-7-1-2-8(15)11(10(7)14)19-6-3-4-17-9(5-6)12(16)18/h1-5H,15H2,(H2,16,18)
InChIKeyMOQWZGCARFISFQ-UHFFFAOYSA-N
XLogP1.83
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide?
The IUPAC name of 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide (CID 57470879) is 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide is NC(=O)c1cc(Oc2c(N)ccc(F)c2F)ccn1.
What is the InChIKey of 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide?
The InChIKey is MOQWZGCARFISFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-7-1-2-8(15)11(10(7)14)19-6-3-4-17-9(5-6)12(16)18/h1-5H,15H2,(H2,16,18).
What are the key properties of 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide?
4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide has a molecular weight of 265.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 57470879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).