4,5,6,7-tetrafluoro-3-iodo-2-methylindazole

C8H3F4IN2 — CID 146365047

IUPAC4,5,6,7-tetrafluoro-3-iodo-2-methylindazole
SMILESCn1nc2c(F)c(F)c(F)c(F)c2c1I
InChIInChI=1S/C8H3F4IN2/c1-15-8(13)2-3(9)4(10)5(11)6(12)7(2)14-15/h1H3
InChIKeyUSKGFJLJJRTLDV-UHFFFAOYSA-N
MW330.02 g/mol
LogP2.73
Rot. Bonds

About 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole

4,5,6,7-tetrafluoro-3-iodo-2-methylindazole (PubChem CID 146365047) has the molecular formula C8H3F4IN2 and a molecular weight of 330.02 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-3-iodo-2-methylindazole
PubChem CID146365047
Molecular FormulaC8H3F4IN2
Molecular Weight330.02 g/mol
Exact Mass329.93
IUPAC Name4,5,6,7-tetrafluoro-3-iodo-2-methylindazole
SMILESCn1nc2c(F)c(F)c(F)c(F)c2c1I
InChIInChI=1S/C8H3F4IN2/c1-15-8(13)2-3(9)4(10)5(11)6(12)7(2)14-15/h1H3
InChIKeyUSKGFJLJJRTLDV-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.02
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,5-diiodo-1-methyl-4-(trifluoromethyl)pyrazole
CID 162609702
4,5,6,7-tetrafluoro-1-methylbenzimidazole
CID 122222869
4-methyl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-triazole
CID 115395285
6-bromo-3-iodo-2-methylindazole-4-carbonitrile
CID 172605984
1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotriphenylene
CID 12871319
5-iodo-1,4-dimethylpyrazol-3-amine
CID 135342785
3-tert-butyl-5-iodo-1,4-dimethylpyrazole
CID 146379445
5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
CID 87361080
4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole
CID 134909937
2-dodecyl-5,6-difluoro-4,7-diiodobenzotriazole
CID 132595356
4,5,6,7-tetrafluoro-1-iodobenzotriazole
CID 146604421
3-amino-5-iodo-1-methylpyrazole-4-carboxamide
CID 137469533

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole?
The IUPAC name of 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole (CID 146365047) is 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole.
What is the SMILES notation for 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole?
The canonical SMILES for 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole is Cn1nc2c(F)c(F)c(F)c(F)c2c1I.
What is the InChIKey of 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole?
The InChIKey is USKGFJLJJRTLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4IN2/c1-15-8(13)2-3(9)4(10)5(11)6(12)7(2)14-15/h1H3.
What are the key properties of 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole?
4,5,6,7-tetrafluoro-3-iodo-2-methylindazole has a molecular weight of 330.02 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-3-iodo-2-methylindazole is sourced from PubChem (CID 146365047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).