4-fluoro-1H-indazole-6-carbonitrile

C8H4FN3 — CID 53399325

IUPAC4-fluoro-1H-indazole-6-carbonitrile
SMILESN#Cc1cc(F)c2cn[nH]c2c1
InChIInChI=1S/C8H4FN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,(H,11,12)
InChIKeyBCQVWWDXMRSTJP-UHFFFAOYSA-N
MW161.14 g/mol
LogP1.57
Rot. Bonds

About 4-fluoro-1H-indazole-6-carbonitrile

4-fluoro-1H-indazole-6-carbonitrile (PubChem CID 53399325) has the molecular formula C8H4FN3 and a molecular weight of 161.14 g/mol. Its IUPAC name is 4-fluoro-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1H-indazole-6-carbonitrile
PubChem CID53399325
Molecular FormulaC8H4FN3
Molecular Weight161.14 g/mol
Exact Mass161.04
IUPAC Name4-fluoro-1H-indazole-6-carbonitrile
SMILESN#Cc1cc(F)c2cn[nH]c2c1
InChIInChI=1S/C8H4FN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,(H,11,12)
InChIKeyBCQVWWDXMRSTJP-UHFFFAOYSA-N
XLogP1.57
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1H-indazole-6-carbonitrile 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 4-fluoro-1H-indazole-6-carbonitrile?
The IUPAC name of 4-fluoro-1H-indazole-6-carbonitrile (CID 53399325) is 4-fluoro-1H-indazole-6-carbonitrile.
What is the SMILES notation for 4-fluoro-1H-indazole-6-carbonitrile?
The canonical SMILES for 4-fluoro-1H-indazole-6-carbonitrile is N#Cc1cc(F)c2cn[nH]c2c1.
What is the InChIKey of 4-fluoro-1H-indazole-6-carbonitrile?
The InChIKey is BCQVWWDXMRSTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,(H,11,12).
What are the key properties of 4-fluoro-1H-indazole-6-carbonitrile?
4-fluoro-1H-indazole-6-carbonitrile has a molecular weight of 161.14 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-indazole-6-carbonitrile is sourced from PubChem (CID 53399325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).