(2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone

C18H10BrF3N2O — CID 162620979

IUPAC(2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone
SMILESO=C(c1cnnc(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1Br
InChIInChI=1S/C18H10BrF3N2O/c19-15-4-2-1-3-14(15)17(25)12-9-16(24-23-10-12)11-5-7-13(8-6-11)18(20,21)22/h1-10H
InChIKeyVMGKQCUYFKWMLE-UHFFFAOYSA-N
MW407.19 g/mol
LogP5.16
Rot. Bonds3

About (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone

(2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone (PubChem CID 162620979) has the molecular formula C18H10BrF3N2O and a molecular weight of 407.19 g/mol. Its IUPAC name is (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone
PubChem CID162620979
Molecular FormulaC18H10BrF3N2O
Molecular Weight407.19 g/mol
Exact Mass405.99
IUPAC Name(2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone
SMILESO=C(c1cnnc(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1Br
InChIInChI=1S/C18H10BrF3N2O/c19-15-4-2-1-3-14(15)17(25)12-9-16(24-23-10-12)11-5-7-13(8-6-11)18(20,21)22/h1-10H
InChIKeyVMGKQCUYFKWMLE-UHFFFAOYSA-N
XLogP5.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.19
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
CID 172878103
2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 20567036
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970696
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
(E)-1-(2-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6241202
1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 13370512
(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
CID 106647447
[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 154291859
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone?
The IUPAC name of (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone (CID 162620979) is (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone is O=C(c1cnnc(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone?
The InChIKey is VMGKQCUYFKWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF3N2O/c19-15-4-2-1-3-14(15)17(25)12-9-16(24-23-10-12)11-5-7-13(8-6-11)18(20,21)22/h1-10H.
What are the key properties of (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone?
(2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone has a molecular weight of 407.19 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone is sourced from PubChem (CID 162620979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).