(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone

C12H10FN3O — CID 105081876

IUPAC(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESCc1cc(C(=O)c2cncc(F)c2)c(C)nn1
InChIInChI=1S/C12H10FN3O/c1-7-3-11(8(2)16-15-7)12(17)9-4-10(13)6-14-5-9/h3-6H,1-2H3
InChIKeyIATIKTAOIGVKQH-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.86
Rot. Bonds2

About (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone

(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 105081876) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID105081876
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESCc1cc(C(=O)c2cncc(F)c2)c(C)nn1
InChIInChI=1S/C12H10FN3O/c1-7-3-11(8(2)16-15-7)12(17)9-4-10(13)6-14-5-9/h3-6H,1-2H3
InChIKeyIATIKTAOIGVKQH-UHFFFAOYSA-N
XLogP1.86
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone (CID 105081876) is (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone is Cc1cc(C(=O)c2cncc(F)c2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is IATIKTAOIGVKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-7-3-11(8(2)16-15-7)12(17)9-4-10(13)6-14-5-9/h3-6H,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone?
(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 231.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 105081876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).