5-ethynyl-4,6-difluoro-2-methylindazole

C10H6F2N2 — CID 162382307

IUPAC5-ethynyl-4,6-difluoro-2-methylindazole
SMILESC#Cc1c(F)cc2nn(C)cc2c1F
InChIInChI=1S/C10H6F2N2/c1-3-6-8(11)4-9-7(10(6)12)5-14(2)13-9/h1,4-5H,2H3
InChIKeyZCWOWYOROQBTPM-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.83
Rot. Bonds

About 5-ethynyl-4,6-difluoro-2-methylindazole

5-ethynyl-4,6-difluoro-2-methylindazole (PubChem CID 162382307) has the molecular formula C10H6F2N2 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-ethynyl-4,6-difluoro-2-methylindazole.

Molecular Properties

Compound Name5-ethynyl-4,6-difluoro-2-methylindazole
PubChem CID162382307
Molecular FormulaC10H6F2N2
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-ethynyl-4,6-difluoro-2-methylindazole
SMILESC#Cc1c(F)cc2nn(C)cc2c1F
InChIInChI=1S/C10H6F2N2/c1-3-6-8(11)4-9-7(10(6)12)5-14(2)13-9/h1,4-5H,2H3
InChIKeyZCWOWYOROQBTPM-UHFFFAOYSA-N
XLogP1.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-4,6-difluoro-2-methylindazole?
The IUPAC name of 5-ethynyl-4,6-difluoro-2-methylindazole (CID 162382307) is 5-ethynyl-4,6-difluoro-2-methylindazole.
What is the SMILES notation for 5-ethynyl-4,6-difluoro-2-methylindazole?
The canonical SMILES for 5-ethynyl-4,6-difluoro-2-methylindazole is C#Cc1c(F)cc2nn(C)cc2c1F.
What is the InChIKey of 5-ethynyl-4,6-difluoro-2-methylindazole?
The InChIKey is ZCWOWYOROQBTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2/c1-3-6-8(11)4-9-7(10(6)12)5-14(2)13-9/h1,4-5H,2H3.
What are the key properties of 5-ethynyl-4,6-difluoro-2-methylindazole?
5-ethynyl-4,6-difluoro-2-methylindazole has a molecular weight of 192.17 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-4,6-difluoro-2-methylindazole is sourced from PubChem (CID 162382307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).