(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone

C16H13FN2O2 — CID 105132443

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13FN2O2/c1-3-13-12(6-9(2)18-19-13)16(20)15-8-10-7-11(17)4-5-14(10)21-15/h4-8H,3H2,1-2H3
InChIKeyJQNDPFFJRMYGNA-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.46
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone

(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 105132443) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone
PubChem CID105132443
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13FN2O2/c1-3-13-12(6-9(2)18-19-13)16(20)15-8-10-7-11(17)4-5-14(10)21-15/h4-8H,3H2,1-2H3
InChIKeyJQNDPFFJRMYGNA-UHFFFAOYSA-N
XLogP3.46
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
CID 105085643
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376734
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone (CID 105132443) is (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone is CCc1nnc(C)cc1C(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is JQNDPFFJRMYGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-3-13-12(6-9(2)18-19-13)16(20)15-8-10-7-11(17)4-5-14(10)21-15/h4-8H,3H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone?
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 284.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105132443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).