(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone

C14H13FN2O — CID 105085643

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccccc1F
InChIInChI=1S/C14H13FN2O/c1-3-13-11(8-9(2)16-17-13)14(18)10-6-4-5-7-12(10)15/h4-8H,3H2,1-2H3
InChIKeyKXIMXKYCGPPIOV-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.72
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone

(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone (PubChem CID 105085643) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
PubChem CID105085643
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccccc1F
InChIInChI=1S/C14H13FN2O/c1-3-13-11(8-9(2)16-17-13)14(18)10-6-4-5-7-12(10)15/h4-8H,3H2,1-2H3
InChIKeyKXIMXKYCGPPIOV-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105093728
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132
1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one
CID 105080164
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105098414
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 105132443
(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105122490
(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105117340
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376734
(3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone
CID 105101394

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone (CID 105085643) is (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone is CCc1nnc(C)cc1C(=O)c1ccccc1F.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone?
The InChIKey is KXIMXKYCGPPIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-3-13-11(8-9(2)16-17-13)14(18)10-6-4-5-7-12(10)15/h4-8H,3H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone?
(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone has a molecular weight of 244.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 105085643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).