(5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone

C11H8FN3O — CID 13403092

IUPAC(5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone
SMILESNc1cnncc1C(=O)c1ccccc1F
InChIInChI=1S/C11H8FN3O/c12-9-4-2-1-3-7(9)11(16)8-5-14-15-6-10(8)13/h1-6H,(H2,13,14)
InChIKeySBCJAMJIPWJINK-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.43
Rot. Bonds2

About (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone

(5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone (PubChem CID 13403092) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone
PubChem CID13403092
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name(5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone
SMILESNc1cnncc1C(=O)c1ccccc1F
InChIInChI=1S/C11H8FN3O/c12-9-4-2-1-3-7(9)11(16)8-5-14-15-6-10(8)13/h1-6H,(H2,13,14)
InChIKeySBCJAMJIPWJINK-UHFFFAOYSA-N
XLogP1.43
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 12470857
CID 12470857
CID 13409647
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CID 129938436
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CID 15264931
CID 15264931
CID 11265310
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CID 18956523
CID 18956523
CID 18956540
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CID 59367711
CID 59367711

Frequently Asked Questions

What is the IUPAC name of (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone (CID 13403092) is (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone is Nc1cnncc1C(=O)c1ccccc1F.
What is the InChIKey of (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone?
The InChIKey is SBCJAMJIPWJINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-9-4-2-1-3-7(9)11(16)8-5-14-15-6-10(8)13/h1-6H,(H2,13,14).
What are the key properties of (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone?
(5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone has a molecular weight of 217.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyridazin-4-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 13403092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).