[8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C11H8BrF3IN3 — CID 114261091

IUPAC[8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(C(F)(F)F)nc2c(Br)ccc(I)c2c1NN
InChIInChI=1S/C11H8BrF3IN3/c1-4-8(19-17)7-6(16)3-2-5(12)9(7)18-10(4)11(13,14)15/h2-3H,17H2,1H3,(H,18,19)
InChIKeyGCPMBBRMHHMTIB-UHFFFAOYSA-N
MW446.01 g/mol
LogP4.21
Rot. Bonds1

About [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 114261091) has the molecular formula C11H8BrF3IN3 and a molecular weight of 446.01 g/mol. Its IUPAC name is [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID114261091
Molecular FormulaC11H8BrF3IN3
Molecular Weight446.01 g/mol
Exact Mass444.89
IUPAC Name[8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(C(F)(F)F)nc2c(Br)ccc(I)c2c1NN
InChIInChI=1S/C11H8BrF3IN3/c1-4-8(19-17)7-6(16)3-2-5(12)9(7)18-10(4)11(13,14)15/h2-3H,17H2,1H3,(H,18,19)
InChIKeyGCPMBBRMHHMTIB-UHFFFAOYSA-N
XLogP4.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.01
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-fluoro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744433
[3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 55229164
8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline
CID 82766418
8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine
CID 114260983
[6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 103996968
5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744259
1-bromo-4-iodo-3-methyl-2-(trifluoromethyl)benzene
CID 166637898
[6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63742394
5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743910
5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 102854998
N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743908
[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744262

Frequently Asked Questions

What is the IUPAC name of [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 114261091) is [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is Cc1c(C(F)(F)F)nc2c(Br)ccc(I)c2c1NN.
What is the InChIKey of [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is GCPMBBRMHHMTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3IN3/c1-4-8(19-17)7-6(16)3-2-5(12)9(7)18-10(4)11(13,14)15/h2-3H,17H2,1H3,(H,18,19).
What are the key properties of [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 446.01 g/mol, XLogP of 4.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 114261091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).