3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C8H11FIN3 — CID 163780861

IUPAC3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCN1CCc2c(c(CF)nn2I)C1
InChIInChI=1S/C8H11FIN3/c1-12-3-2-8-6(5-12)7(4-9)11-13(8)10/h2-5H2,1H3
InChIKeyMOLWAVFSWNTIQR-UHFFFAOYSA-N
MW295.10 g/mol
LogP1.54
Rot. Bonds1

About 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 163780861) has the molecular formula C8H11FIN3 and a molecular weight of 295.10 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID163780861
Molecular FormulaC8H11FIN3
Molecular Weight295.10 g/mol
Exact Mass295.00
IUPAC Name3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCN1CCc2c(c(CF)nn2I)C1
InChIInChI=1S/C8H11FIN3/c1-12-3-2-8-6(5-12)7(4-9)11-13(8)10/h2-5H2,1H3
InChIKeyMOLWAVFSWNTIQR-UHFFFAOYSA-N
XLogP1.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 45096966
5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57362245
5-tert-butyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57559211
7,7-Dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,3-c]pyridine
CID 67337478
5-Ethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 68029788
3-(1-Fluoroethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 68383779
7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-5-amine
CID 70830276
5-ethyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71029829
4,5,6,7-Tetrahydro-2-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
CID 83848209
5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 90162166
5-Propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 90162224
1,5-dimethyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 90167824

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 163780861) is 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CN1CCc2c(c(CF)nn2I)C1.
What is the InChIKey of 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is MOLWAVFSWNTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FIN3/c1-12-3-2-8-6(5-12)7(4-9)11-13(8)10/h2-5H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 295.10 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-iodo-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 163780861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).