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

C15H15BrFN3 — CID 105280455

IUPAC[(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
SMILESNNC(c1c(F)cccc1Br)C1CCc2cccnc21
InChIInChI=1S/C15H15BrFN3/c16-11-4-1-5-12(17)13(11)15(20-18)10-7-6-9-3-2-8-19-14(9)10/h1-5,8,10,15,20H,6-7,18H2
InChIKeyMVQSTYCAUBBHDC-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.22
Rot. Bonds3

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

[(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine (PubChem CID 105280455) has the molecular formula C15H15BrFN3 and a molecular weight of 336.21 g/mol. Its IUPAC name is [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
PubChem CID105280455
Molecular FormulaC15H15BrFN3
Molecular Weight336.21 g/mol
Exact Mass335.04
IUPAC Name[(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
SMILESNNC(c1c(F)cccc1Br)C1CCc2cccnc21
InChIInChI=1S/C15H15BrFN3/c16-11-4-1-5-12(17)13(11)15(20-18)10-7-6-9-3-2-8-19-14(9)10/h1-5,8,10,15,20H,6-7,18H2
InChIKeyMVQSTYCAUBBHDC-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105321987
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105321966
[(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105222197
[(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
[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
1-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79747890
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethyl]hydrazine
CID 105265157
1-(2,6-difluoro-3-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009920
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231222

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine (CID 105280455) is [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine is NNC(c1c(F)cccc1Br)C1CCc2cccnc21.
What is the InChIKey of [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The InChIKey is MVQSTYCAUBBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3/c16-11-4-1-5-12(17)13(11)15(20-18)10-7-6-9-3-2-8-19-14(9)10/h1-5,8,10,15,20H,6-7,18H2.
What are the key properties of [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
[(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine has a molecular weight of 336.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine is sourced from PubChem (CID 105280455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).