[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine

C16H17F2N3 — CID 105321987

IUPAC[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
SMILESCc1ccc(F)c(C(NN)C2CCc3cccnc32)c1F
InChIInChI=1S/C16H17F2N3/c1-9-4-7-12(17)13(14(9)18)16(21-19)11-6-5-10-3-2-8-20-15(10)11/h2-4,7-8,11,16,21H,5-6,19H2,1H3
InChIKeyQWYAWPJAISSIMK-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.90
Rot. Bonds3

About [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine

[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine (PubChem CID 105321987) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
PubChem CID105321987
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
SMILESCc1ccc(F)c(C(NN)C2CCc3cccnc32)c1F
InChIInChI=1S/C16H17F2N3/c1-9-4-7-12(17)13(14(9)18)16(21-19)11-6-5-10-3-2-8-20-15(10)11/h2-4,7-8,11,16,21H,5-6,19H2,1H3
InChIKeyQWYAWPJAISSIMK-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.90
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

1-(2,6-difluoro-3-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009920
[(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-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105321966
[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)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
[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(pyridazin-4-yl)methyl]hydrazine
CID 105322052
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethyl]hydrazine
CID 105265157
[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105222545
1-(2,6-difluoro-3-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 82802818
[(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-(1-methylcyclopentyl)methyl]hydrazine
CID 105322002

Frequently Asked Questions

What is the IUPAC name of [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The IUPAC name of [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine (CID 105321987) is [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine.
What is the SMILES notation for [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The canonical SMILES for [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine is Cc1ccc(F)c(C(NN)C2CCc3cccnc32)c1F.
What is the InChIKey of [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
The InChIKey is QWYAWPJAISSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-9-4-7-12(17)13(14(9)18)16(21-19)11-6-5-10-3-2-8-20-15(10)11/h2-4,7-8,11,16,21H,5-6,19H2,1H3.
What are the key properties of [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine?
[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine has a molecular weight of 289.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine is sourced from PubChem (CID 105321987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).