6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine

C12H14BrFN2 — CID 139790844

IUPAC6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine
SMILESFCCN1CCCC(c2ccc(Br)cc2)=N1
InChIInChI=1S/C12H14BrFN2/c13-11-5-3-10(4-6-11)12-2-1-8-16(15-12)9-7-14/h3-6H,1-2,7-9H2
InChIKeyFRUHQYCEVFVNLT-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.22
Rot. Bonds3

About 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine

6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine (PubChem CID 139790844) has the molecular formula C12H14BrFN2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine
PubChem CID139790844
Molecular FormulaC12H14BrFN2
Molecular Weight285.16 g/mol
Exact Mass284.03
IUPAC Name6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine
SMILESFCCN1CCCC(c2ccc(Br)cc2)=N1
InChIInChI=1S/C12H14BrFN2/c13-11-5-3-10(4-6-11)12-2-1-8-16(15-12)9-7-14/h3-6H,1-2,7-9H2
InChIKeyFRUHQYCEVFVNLT-UHFFFAOYSA-N
XLogP3.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine?
The IUPAC name of 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine (CID 139790844) is 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine is FCCN1CCCC(c2ccc(Br)cc2)=N1.
What is the InChIKey of 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine?
The InChIKey is FRUHQYCEVFVNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2/c13-11-5-3-10(4-6-11)12-2-1-8-16(15-12)9-7-14/h3-6H,1-2,7-9H2.
What are the key properties of 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine?
6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine has a molecular weight of 285.16 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 139790844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).