2-fluoro-5-(3-methylpyridazin-4-yl)benzamide

C12H10FN3O — CID 90168122

IUPAC2-fluoro-5-(3-methylpyridazin-4-yl)benzamide
SMILESCc1nnccc1-c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C12H10FN3O/c1-7-9(4-5-15-16-7)8-2-3-11(13)10(6-8)12(14)17/h2-6H,1H3,(H2,14,17)
InChIKeyIPMYLMOWRQDBCI-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.69
Rot. Bonds2

About 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide

2-fluoro-5-(3-methylpyridazin-4-yl)benzamide (PubChem CID 90168122) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(3-methylpyridazin-4-yl)benzamide
PubChem CID90168122
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-fluoro-5-(3-methylpyridazin-4-yl)benzamide
SMILESCc1nnccc1-c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C12H10FN3O/c1-7-9(4-5-15-16-7)8-2-3-11(13)10(6-8)12(14)17/h2-6H,1H3,(H2,14,17)
InChIKeyIPMYLMOWRQDBCI-UHFFFAOYSA-N
XLogP1.69
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide?
The IUPAC name of 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide (CID 90168122) is 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide is Cc1nnccc1-c1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide?
The InChIKey is IPMYLMOWRQDBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-7-9(4-5-15-16-7)8-2-3-11(13)10(6-8)12(14)17/h2-6H,1H3,(H2,14,17).
What are the key properties of 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide?
2-fluoro-5-(3-methylpyridazin-4-yl)benzamide has a molecular weight of 231.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-methylpyridazin-4-yl)benzamide is sourced from PubChem (CID 90168122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).