(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone

C12H7BrClFN2O2 — CID 155673909

IUPAC(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)c(F)cc2Cl)nn1
InChIInChI=1S/C12H7BrClFN2O2/c1-19-11-3-2-10(16-17-11)12(18)6-4-7(13)9(15)5-8(6)14/h2-5H,1H3
InChIKeyTYITZCDXXIDKMS-UHFFFAOYSA-N
MW345.56 g/mol
LogP3.27
Rot. Bonds3

About (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone

(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 155673909) has the molecular formula C12H7BrClFN2O2 and a molecular weight of 345.56 g/mol. Its IUPAC name is (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID155673909
Molecular FormulaC12H7BrClFN2O2
Molecular Weight345.56 g/mol
Exact Mass343.94
IUPAC Name(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)c(F)cc2Cl)nn1
InChIInChI=1S/C12H7BrClFN2O2/c1-19-11-3-2-10(16-17-11)12(18)6-4-7(13)9(15)5-8(6)14/h2-5H,1H3
InChIKeyTYITZCDXXIDKMS-UHFFFAOYSA-N
XLogP3.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone (CID 155673909) is (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)c2cc(Br)c(F)cc2Cl)nn1.
What is the InChIKey of (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is TYITZCDXXIDKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O2/c1-19-11-3-2-10(16-17-11)12(18)6-4-7(13)9(15)5-8(6)14/h2-5H,1H3.
What are the key properties of (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone?
(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 345.56 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 155673909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).