4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine

C8H7FIN3 — CID 134337154

IUPAC4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine
SMILESCc1ncc2c(c(I)nn2C)c1F
InChIInChI=1S/C8H7FIN3/c1-4-7(9)6-5(3-11-4)13(2)12-8(6)10/h3H,1-2H3
InChIKeySMMDEAVEOKGSQO-UHFFFAOYSA-N
MW291.07 g/mol
LogP2.02
Rot. Bonds

About 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine

4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine (PubChem CID 134337154) has the molecular formula C8H7FIN3 and a molecular weight of 291.07 g/mol. Its IUPAC name is 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine
PubChem CID134337154
Molecular FormulaC8H7FIN3
Molecular Weight291.07 g/mol
Exact Mass290.97
IUPAC Name4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine
SMILESCc1ncc2c(c(I)nn2C)c1F
InChIInChI=1S/C8H7FIN3/c1-4-7(9)6-5(3-11-4)13(2)12-8(6)10/h3H,1-2H3
InChIKeySMMDEAVEOKGSQO-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 52.02
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

5-Fluoro-1-pyridin-3-ylindazole
CID 76286753
5-Fluoro-1-(5-fluoro-3-pyridinyl)indazole
CID 90252839
5-Fluoro-1-[5-(trifluoromethyl)pyridin-3-yl]indazole
CID 90252954
1-Benzyltriazolo[4,5-c]pyridine
CID 351033
1-methyl-3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
CID 1480373
3-Iodo-1H-pyrazolo[3,4-c]pyridine
CID 53399429
3-iodo-1-methyl-1H-pyrazolo(4,3-b)pyridine
CID 54595415
4-Bromo-1-methyl-1H-pyrazolo(3,4-c)pyridine
CID 57606936
3-bromo-1-methyl-1H-pyrazolo(3,4-c)pyridine
CID 66760539
5-bromo-2,7-dimethyl-2H-pyrazolo(3,4-c)pyridine
CID 139026808
2-Phenylpyrazolo[4,3-c]pyridine
CID 121008780
4-Methyl-2-phenylpyrazolo[4,3-c]pyridine
CID 145985309

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine (CID 134337154) is 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine is Cc1ncc2c(c(I)nn2C)c1F.
What is the InChIKey of 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine?
The InChIKey is SMMDEAVEOKGSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FIN3/c1-4-7(9)6-5(3-11-4)13(2)12-8(6)10/h3H,1-2H3.
What are the key properties of 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine?
4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine has a molecular weight of 291.07 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 134337154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).