(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone

C12H9FN2O2 — CID 103373214

IUPAC(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cccc(F)c2)nn1
InChIInChI=1S/C12H9FN2O2/c1-17-11-6-5-10(14-15-11)12(16)8-3-2-4-9(13)7-8/h2-7H,1H3
InChIKeyHWLIVWIXNVWCJN-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.86
Rot. Bonds3

About (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone

(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 103373214) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID103373214
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cccc(F)c2)nn1
InChIInChI=1S/C12H9FN2O2/c1-17-11-6-5-10(14-15-11)12(16)8-3-2-4-9(13)7-8/h2-7H,1H3
InChIKeyHWLIVWIXNVWCJN-UHFFFAOYSA-N
XLogP1.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxypyridazin-3-yl)-phenylmethanone
CID 10242336
(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079830
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
furan-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 103373290
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone
CID 21487912
(6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 103373289
methyl 3-fluorobenzoate
CID 521184
(6-methoxypyridazin-3-yl)-(4-propylphenyl)methanone
CID 103373224
(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone
CID 115529848
2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061918
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone (CID 103373214) is (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)c2cccc(F)c2)nn1.
What is the InChIKey of (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is HWLIVWIXNVWCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-11-6-5-10(14-15-11)12(16)8-3-2-4-9(13)7-8/h2-7H,1H3.
What are the key properties of (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 232.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 103373214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).