5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile

C11H8BrFN4 — CID 107594066

IUPAC5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)c(Br)c2c(NN)c(C#N)cnc12
InChIInChI=1S/C11H8BrFN4/c1-5-2-7(13)9(12)8-10(5)16-4-6(3-14)11(8)17-15/h2,4H,15H2,1H3,(H,16,17)
InChIKeySGUOTNZGJOZHHX-UHFFFAOYSA-N
MW295.12 g/mol
LogP2.60
Rot. Bonds1

About 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile

5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile (PubChem CID 107594066) has the molecular formula C11H8BrFN4 and a molecular weight of 295.12 g/mol. Its IUPAC name is 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile
PubChem CID107594066
Molecular FormulaC11H8BrFN4
Molecular Weight295.12 g/mol
Exact Mass293.99
IUPAC Name5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)c(Br)c2c(NN)c(C#N)cnc12
InChIInChI=1S/C11H8BrFN4/c1-5-2-7(13)9(12)8-10(5)16-4-6(3-14)11(8)17-15/h2,4H,15H2,1H3,(H,16,17)
InChIKeySGUOTNZGJOZHHX-UHFFFAOYSA-N
XLogP2.60
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-5,8-difluoro-6-methylquinoline-3-carbonitrile
CID 103587304
4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile
CID 103587302
7-chloro-8-fluoro-4-hydrazinylquinoline-3-carbonitrile
CID 62251972
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 82758267
6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62188170
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
CID 62188504
5-bromo-N,3-diethyl-6-fluoro-2,8-dimethylquinolin-4-amine
CID 107593975
4-amino-3-bromo-2-fluoro-5-methylbenzonitrile
CID 14621074
5-fluoro-4-methylpyridine-2-carbonitrile
CID 118235335
8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile
CID 107607945
6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile
CID 62872646

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile?
The IUPAC name of 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile (CID 107594066) is 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile is Cc1cc(F)c(Br)c2c(NN)c(C#N)cnc12.
What is the InChIKey of 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile?
The InChIKey is SGUOTNZGJOZHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4/c1-5-2-7(13)9(12)8-10(5)16-4-6(3-14)11(8)17-15/h2,4H,15H2,1H3,(H,16,17).
What are the key properties of 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile?
5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile has a molecular weight of 295.12 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 107594066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).