6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide

C14H10F5N3O3 — CID 166839545

IUPAC6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide
SMILESCOc1nnc(F)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C14H10F5N3O3/c1-24-13-9(5-11(16)21-22-13)12(23)20-6-7-4-8(2-3-10(7)15)25-14(17,18)19/h2-5H,6H2,1H3,(H,20,23)
InChIKeyPRFRMMHYHJLDFB-UHFFFAOYSA-N
MW363.24 g/mol
LogP2.59
Rot. Bonds5

About 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide

6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide (PubChem CID 166839545) has the molecular formula C14H10F5N3O3 and a molecular weight of 363.24 g/mol. Its IUPAC name is 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide
PubChem CID166839545
Molecular FormulaC14H10F5N3O3
Molecular Weight363.24 g/mol
Exact Mass363.06
IUPAC Name6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide
SMILESCOc1nnc(F)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C14H10F5N3O3/c1-24-13-9(5-11(16)21-22-13)12(23)20-6-7-4-8(2-3-10(7)15)25-14(17,18)19/h2-5H,6H2,1H3,(H,20,23)
InChIKeyPRFRMMHYHJLDFB-UHFFFAOYSA-N
XLogP2.59
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide?
The IUPAC name of 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide (CID 166839545) is 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide is COc1nnc(F)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide?
The InChIKey is PRFRMMHYHJLDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3O3/c1-24-13-9(5-11(16)21-22-13)12(23)20-6-7-4-8(2-3-10(7)15)25-14(17,18)19/h2-5H,6H2,1H3,(H,20,23).
What are the key properties of 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide?
6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide is sourced from PubChem (CID 166839545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).