2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one

C6H7ClFN3O — CID 150699899

IUPAC2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one
SMILESNCCn1ncc(F)c(Cl)c1=O
InChIInChI=1S/C6H7ClFN3O/c7-5-4(8)3-10-11(2-1-9)6(5)12/h3H,1-2,9H2
InChIKeyJLQJIKJWENILGU-UHFFFAOYSA-N
MW191.59 g/mol
LogP-0.01
Rot. Bonds2

About 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one

2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one (PubChem CID 150699899) has the molecular formula C6H7ClFN3O and a molecular weight of 191.59 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one
PubChem CID150699899
Molecular FormulaC6H7ClFN3O
Molecular Weight191.59 g/mol
Exact Mass191.03
IUPAC Name2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one
SMILESNCCn1ncc(F)c(Cl)c1=O
InChIInChI=1S/C6H7ClFN3O/c7-5-4(8)3-10-11(2-1-9)6(5)12/h3H,1-2,9H2
InChIKeyJLQJIKJWENILGU-UHFFFAOYSA-N
XLogP-0.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.59
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 2585047
5-Amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432872
4,5-Dichloro-2-(2-fluoroethyl)pyridazin-3-one
CID 115659144
4,5-Dichloro-2-(3-fluoropropyl)pyridazin-3-one
CID 115705791
2-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)acetamide
CID 2585140
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-methylacetamide
CID 8862301
2-(2-Aminoethyl)-4,5-dichloropyridazin-3-one
CID 59134316
2-(2-Aminoethyl)-4-chloropyridazin-3-one
CID 84654777

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one (CID 150699899) is 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one is NCCn1ncc(F)c(Cl)c1=O.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one?
The InChIKey is JLQJIKJWENILGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN3O/c7-5-4(8)3-10-11(2-1-9)6(5)12/h3H,1-2,9H2.
What are the key properties of 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one?
2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one has a molecular weight of 191.59 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-5-fluoropyridazin-3-one is sourced from PubChem (CID 150699899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).