(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone

C11H6ClFN2O — CID 105396670

IUPAC(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H6ClFN2O/c12-10-2-1-8(13)5-9(10)11(16)7-3-4-14-15-6-7/h1-6H
InChIKeyZOBUQKVMSZHHKW-UHFFFAOYSA-N
MW236.63 g/mol
LogP2.50
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone

(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone (PubChem CID 105396670) has the molecular formula C11H6ClFN2O and a molecular weight of 236.63 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone
PubChem CID105396670
Molecular FormulaC11H6ClFN2O
Molecular Weight236.63 g/mol
Exact Mass236.02
IUPAC Name(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H6ClFN2O/c12-10-2-1-8(13)5-9(10)11(16)7-3-4-14-15-6-7/h1-6H
InChIKeyZOBUQKVMSZHHKW-UHFFFAOYSA-N
XLogP2.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone
CID 105396790
N-(2-carbamothioyl-4-fluorophenyl)pyridazine-4-carboxamide
CID 104670517
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
CID 106647314
(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
CID 107361601
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 105094681
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone (CID 105396670) is (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone is O=C(c1ccnnc1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone?
The InChIKey is ZOBUQKVMSZHHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O/c12-10-2-1-8(13)5-9(10)11(16)7-3-4-14-15-6-7/h1-6H.
What are the key properties of (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone?
(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone has a molecular weight of 236.63 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 105396670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).