(2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone

C11H9Br2N3O2 — CID 106464279

IUPAC(2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)c2c(Br)nnn2C)c1
InChIInChI=1S/C11H9Br2N3O2/c1-16-9(11(13)14-15-16)10(17)7-5-6(18-2)3-4-8(7)12/h3-5H,1-2H3
InChIKeyKAHHZJKABGEFOO-UHFFFAOYSA-N
MW375.02 g/mol
LogP2.58
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone

(2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone (PubChem CID 106464279) has the molecular formula C11H9Br2N3O2 and a molecular weight of 375.02 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
PubChem CID106464279
Molecular FormulaC11H9Br2N3O2
Molecular Weight375.02 g/mol
Exact Mass372.91
IUPAC Name(2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)c2c(Br)nnn2C)c1
InChIInChI=1S/C11H9Br2N3O2/c1-16-9(11(13)14-15-16)10(17)7-5-6(18-2)3-4-8(7)12/h3-5H,1-2H3
InChIKeyKAHHZJKABGEFOO-UHFFFAOYSA-N
XLogP2.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.02
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 106461753
(2-bromo-5-methoxyphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 105135470
(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464396
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone
CID 105116061
1-(2-bromo-5-methoxyphenyl)prop-2-en-1-one
CID 105110975
1-(2-bromo-5-methoxyphenyl)prop-2-yn-1-one
CID 105108267
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(2-methoxyphenyl) 2-bromo-5-methoxybenzoate
CID 8778433
(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095598

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone (CID 106464279) is (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone is COc1ccc(Br)c(C(=O)c2c(Br)nnn2C)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The InChIKey is KAHHZJKABGEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O2/c1-16-9(11(13)14-15-16)10(17)7-5-6(18-2)3-4-8(7)12/h3-5H,1-2H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
(2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone has a molecular weight of 375.02 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 106464279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).