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

C12H9FN2O2 — CID 15637039

IUPAC(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2F)nn1
InChIInChI=1S/C12H9FN2O2/c1-17-11-7-6-10(14-15-11)12(16)8-4-2-3-5-9(8)13/h2-7H,1H3
InChIKeySFTIPTMMRIZPRY-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.86
Rot. Bonds3

About (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone

(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 15637039) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID15637039
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2F)nn1
InChIInChI=1S/C12H9FN2O2/c1-17-11-7-6-10(14-15-11)12(16)8-4-2-3-5-9(8)13/h2-7H,1H3
InChIKeySFTIPTMMRIZPRY-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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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone (CID 15637039) is (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)c2ccccc2F)nn1.
What is the InChIKey of (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is SFTIPTMMRIZPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-11-7-6-10(14-15-11)12(16)8-4-2-3-5-9(8)13/h2-7H,1H3.
What are the key properties of (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
(2-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 (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 15637039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).