3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine

C7H3F3IN3 — CID 121232096

IUPAC3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
SMILESFC(F)(F)c1cc2c(I)[nH]nc2cn1
InChIInChI=1S/C7H3F3IN3/c8-7(9,10)5-1-3-4(2-12-5)13-14-6(3)11/h1-2H,(H,13,14)
InChIKeyXOMRWUJGAVLMGR-UHFFFAOYSA-N
MW313.02 g/mol
LogP2.58
Rot. Bonds

About 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine

3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine (PubChem CID 121232096) has the molecular formula C7H3F3IN3 and a molecular weight of 313.02 g/mol. Its IUPAC name is 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
PubChem CID121232096
Molecular FormulaC7H3F3IN3
Molecular Weight313.02 g/mol
Exact Mass312.93
IUPAC Name3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
SMILESFC(F)(F)c1cc2c(I)[nH]nc2cn1
InChIInChI=1S/C7H3F3IN3/c8-7(9,10)5-1-3-4(2-12-5)13-14-6(3)11/h1-2H,(H,13,14)
InChIKeyXOMRWUJGAVLMGR-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.02
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine (CID 121232096) is 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine is FC(F)(F)c1cc2c(I)[nH]nc2cn1.
What is the InChIKey of 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is XOMRWUJGAVLMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3IN3/c8-7(9,10)5-1-3-4(2-12-5)13-14-6(3)11/h1-2H,(H,13,14).
What are the key properties of 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine?
3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 313.02 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 121232096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).