5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile

C6H4FN3O — CID 170978335

IUPAC5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCn1ncc(F)c(C#N)c1=O
InChIInChI=1S/C6H4FN3O/c1-10-6(11)4(2-8)5(7)3-9-10/h3H,1H3
InChIKeyLJAMDECUYXBMRM-UHFFFAOYSA-N
MW153.12 g/mol
LogP-0.21
Rot. Bonds

About 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile

5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile (PubChem CID 170978335) has the molecular formula C6H4FN3O and a molecular weight of 153.12 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile
PubChem CID170978335
Molecular FormulaC6H4FN3O
Molecular Weight153.12 g/mol
Exact Mass153.03
IUPAC Name5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCn1ncc(F)c(C#N)c1=O
InChIInChI=1S/C6H4FN3O/c1-10-6(11)4(2-8)5(7)3-9-10/h3H,1H3
InChIKeyLJAMDECUYXBMRM-UHFFFAOYSA-N
XLogP-0.21
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile (CID 170978335) is 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile is Cn1ncc(F)c(C#N)c1=O.
What is the InChIKey of 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is LJAMDECUYXBMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3O/c1-10-6(11)4(2-8)5(7)3-9-10/h3H,1H3.
What are the key properties of 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile?
5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 153.12 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 170978335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).