6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen

C10H14F2N2 — CID 176569787

IUPAC6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen
SMILESCC.Cc1[nH]nc2c(F)c(F)ccc12.[H][H]
InChIInChI=1S/C8H6F2N2.C2H6.H2/c1-4-5-2-3-6(9)7(10)8(5)12-11-4;1-2;/h2-3H,1H3,(H,11,12);1-2H3;1H
InChIKeyKXAPLPMXHAXEMO-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.42
Rot. Bonds

About 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen

6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen (PubChem CID 176569787) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen
PubChem CID176569787
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen
SMILESCC.Cc1[nH]nc2c(F)c(F)ccc12.[H][H]
InChIInChI=1S/C8H6F2N2.C2H6.H2/c1-4-5-2-3-6(9)7(10)8(5)12-11-4;1-2;/h2-3H,1H3,(H,11,12);1-2H3;1H
InChIKeyKXAPLPMXHAXEMO-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen?
The IUPAC name of 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen (CID 176569787) is 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen.
What is the SMILES notation for 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen?
The canonical SMILES for 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen is CC.Cc1[nH]nc2c(F)c(F)ccc12.[H][H].
What is the InChIKey of 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen?
The InChIKey is KXAPLPMXHAXEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2.C2H6.H2/c1-4-5-2-3-6(9)7(10)8(5)12-11-4;1-2;/h2-3H,1H3,(H,11,12);1-2H3;1H.
What are the key properties of 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen?
6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen has a molecular weight of 200.23 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen is sourced from PubChem (CID 176569787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).