(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone

C10H6Br2ClN3O — CID 106464396

IUPAC(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H6Br2ClN3O/c1-16-8(10(12)14-15-16)9(17)5-2-3-6(11)7(13)4-5/h2-4H,1H3
InChIKeyXYLCLJTWKOEPEX-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.22
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone

(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone (PubChem CID 106464396) has the molecular formula C10H6Br2ClN3O and a molecular weight of 379.44 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
PubChem CID106464396
Molecular FormulaC10H6Br2ClN3O
Molecular Weight379.44 g/mol
Exact Mass376.86
IUPAC Name(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H6Br2ClN3O/c1-16-8(10(12)14-15-16)9(17)5-2-3-6(11)7(13)4-5/h2-4H,1H3
InChIKeyXYLCLJTWKOEPEX-UHFFFAOYSA-N
XLogP3.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone
CID 106461546
(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone
CID 106461467
(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
CID 106464381
(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464237
(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 106461753
[4-(2-aminoethyl)phenyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464156
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
CID 106461754
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340
(4-bromo-3-chlorophenyl)-(furan-3-yl)methanone
CID 114971763
4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
CID 81005079
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439
(3,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
CID 114686112

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone (CID 106464396) is (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone is Cn1nnc(Br)c1C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The InChIKey is XYLCLJTWKOEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2ClN3O/c1-16-8(10(12)14-15-16)9(17)5-2-3-6(11)7(13)4-5/h2-4H,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone has a molecular weight of 379.44 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 106464396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).