2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide

C13H12FN3O2 — CID 62059169

IUPAC2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
SMILESCc1ccc(Oc2cc(C(N)=O)c(N)cc2F)cn1
InChIInChI=1S/C13H12FN3O2/c1-7-2-3-8(6-17-7)19-12-4-9(13(16)18)11(15)5-10(12)14/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyJLJRWGOCBPCBPA-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide

2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide (PubChem CID 62059169) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
PubChem CID62059169
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
SMILESCc1ccc(Oc2cc(C(N)=O)c(N)cc2F)cn1
InChIInChI=1S/C13H12FN3O2/c1-7-2-3-8(6-17-7)19-12-4-9(13(16)18)11(15)5-10(12)14/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyJLJRWGOCBPCBPA-UHFFFAOYSA-N
XLogP2.00
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.00
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 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide?
The IUPAC name of 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide (CID 62059169) is 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide is Cc1ccc(Oc2cc(C(N)=O)c(N)cc2F)cn1.
What is the InChIKey of 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide?
The InChIKey is JLJRWGOCBPCBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-7-2-3-8(6-17-7)19-12-4-9(13(16)18)11(15)5-10(12)14/h2-6H,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide?
2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide has a molecular weight of 261.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 62059169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).