[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine

C13H14BrN3S — CID 105222545

IUPAC[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
SMILESNNC(c1cc(Br)cs1)C1CCc2cccnc21
InChIInChI=1S/C13H14BrN3S/c14-9-6-11(18-7-9)13(17-15)10-4-3-8-2-1-5-16-12(8)10/h1-2,5-7,10,13,17H,3-4,15H2
InChIKeyOLADQKKTQZGPKK-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.14
Rot. Bonds3

About [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine

[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine (PubChem CID 105222545) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
PubChem CID105222545
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
SMILESNNC(c1cc(Br)cs1)C1CCc2cccnc21
InChIInChI=1S/C13H14BrN3S/c14-9-6-11(18-7-9)13(17-15)10-4-3-8-2-1-5-16-12(8)10/h1-2,5-7,10,13,17H,3-4,15H2
InChIKeyOLADQKKTQZGPKK-UHFFFAOYSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.14
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

[(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105222197
[(3-bromo-5-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 107948367
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105322018
[(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105280455
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyridazin-4-yl)methyl]hydrazine
CID 105322052
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-iodophenyl)methyl]hydrazine
CID 105321973
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thieno[3,2-b]pyridin-6-yl)methyl]hydrazine
CID 105256473
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269106
[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-5-yl)methyl]hydrazine
CID 105320898
[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105321987
4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231222
1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine (CID 105222545) is [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine is NNC(c1cc(Br)cs1)C1CCc2cccnc21.
What is the InChIKey of [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The InChIKey is OLADQKKTQZGPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c14-9-6-11(18-7-9)13(17-15)10-4-3-8-2-1-5-16-12(8)10/h1-2,5-7,10,13,17H,3-4,15H2.
What are the key properties of [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine has a molecular weight of 324.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine is sourced from PubChem (CID 105222545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).