(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone

C10H6BrClFN3O — CID 106461546

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone
SMILESCn1nnc(Br)c1C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H6BrClFN3O/c1-16-8(10(11)14-15-16)9(17)5-2-3-7(13)6(12)4-5/h2-4H,1H3
InChIKeyKFHOTGZGASSMTL-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.60
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone

(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone (PubChem CID 106461546) has the molecular formula C10H6BrClFN3O and a molecular weight of 318.53 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone
PubChem CID106461546
Molecular FormulaC10H6BrClFN3O
Molecular Weight318.53 g/mol
Exact Mass316.94
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone
SMILESCn1nnc(Br)c1C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H6BrClFN3O/c1-16-8(10(11)14-15-16)9(17)5-2-3-7(13)6(12)4-5/h2-4H,1H3
InChIKeyKFHOTGZGASSMTL-UHFFFAOYSA-N
XLogP2.60
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464396
(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone
CID 106461467
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
[4-(2-aminoethyl)phenyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464156
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-fluorophenyl)methanone
CID 106461563
(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
CID 106464381
(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 106461753
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340
(3-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640059
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
CID 106461754
(5-bromo-3-methyltriazol-4-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106464325
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone (CID 106461546) is (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone is Cn1nnc(Br)c1C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone?
The InChIKey is KFHOTGZGASSMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O/c1-16-8(10(11)14-15-16)9(17)5-2-3-7(13)6(12)4-5/h2-4H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone?
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone has a molecular weight of 318.53 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 106461546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).