(5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone

C13H11FN2O3 — CID 103373098

IUPAC(5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)ccc2OC)nn1
InChIInChI=1S/C13H11FN2O3/c1-18-11-5-3-8(14)7-9(11)13(17)10-4-6-12(19-2)16-15-10/h3-7H,1-2H3
InChIKeyHCVZXDRPTRAHGU-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.86
Rot. Bonds4

About (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone

(5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 103373098) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID103373098
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name(5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)ccc2OC)nn1
InChIInChI=1S/C13H11FN2O3/c1-18-11-5-3-8(14)7-9(11)13(17)10-4-6-12(19-2)16-15-10/h3-7H,1-2H3
InChIKeyHCVZXDRPTRAHGU-UHFFFAOYSA-N
XLogP1.86
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone (CID 103373098) is (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)c2cc(F)ccc2OC)nn1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is HCVZXDRPTRAHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-18-11-5-3-8(14)7-9(11)13(17)10-4-6-12(19-2)16-15-10/h3-7H,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone?
(5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 262.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 103373098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).