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

C13H11FN2O3 — CID 103373097

IUPAC(2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cccc(OC)c2F)nn1
InChIInChI=1S/C13H11FN2O3/c1-18-10-5-3-4-8(12(10)14)13(17)9-6-7-11(19-2)16-15-9/h3-7H,1-2H3
InChIKeyZABHKPRZRZZNSW-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.86
Rot. Bonds4

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

(2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 103373097) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID103373097
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name(2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cccc(OC)c2F)nn1
InChIInChI=1S/C13H11FN2O3/c1-18-10-5-3-4-8(12(10)14)13(17)9-6-7-11(19-2)16-15-9/h3-7H,1-2H3
InChIKeyZABHKPRZRZZNSW-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 (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone (CID 103373097) is (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)c2cccc(OC)c2F)nn1.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is ZABHKPRZRZZNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-18-10-5-3-4-8(12(10)14)13(17)9-6-7-11(19-2)16-15-9/h3-7H,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone?
(2-fluoro-3-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 (2-fluoro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 103373097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).