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

C13H14BrN3S — CID 105222197

IUPAC[(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
SMILESNNC(c1ccc(Br)s1)C1CCc2cccnc21
InChIInChI=1S/C13H14BrN3S/c14-11-6-5-10(18-11)13(17-15)9-4-3-8-2-1-7-16-12(8)9/h1-2,5-7,9,13,17H,3-4,15H2
InChIKeyBFERHSMFLNWYHY-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.14
Rot. Bonds3

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

[(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine (PubChem CID 105222197) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
PubChem CID105222197
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name[(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
SMILESNNC(c1ccc(Br)s1)C1CCc2cccnc21
InChIInChI=1S/C13H14BrN3S/c14-11-6-5-10(18-11)13(17-15)9-4-3-8-2-1-7-16-12(8)9/h1-2,5-7,9,13,17H,3-4,15H2
InChIKeyBFERHSMFLNWYHY-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

[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105222545
[(3-bromo-5-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 107948367
[(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
[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-5-yl)methyl]hydrazine
CID 105320898
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-iodophenyl)methyl]hydrazine
CID 105321973
4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231222
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105321966
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269106
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105322018
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethyl]hydrazine
CID 105265157
[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105321987

Frequently Asked Questions

What is the IUPAC name of [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The IUPAC name of [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine (CID 105222197) is [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine is NNC(c1ccc(Br)s1)C1CCc2cccnc21.
What is the InChIKey of [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The InChIKey is BFERHSMFLNWYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c14-11-6-5-10(18-11)13(17-15)9-4-3-8-2-1-7-16-12(8)9/h1-2,5-7,9,13,17H,3-4,15H2.
What are the key properties of [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
[(5-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 [(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine is sourced from PubChem (CID 105222197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).