6-fluoro-2-methylindazole-7-carbonitrile

C9H6FN3 — CID 83385402

IUPAC6-fluoro-2-methylindazole-7-carbonitrile
SMILESCn1cc2ccc(F)c(C#N)c2n1
InChIInChI=1S/C9H6FN3/c1-13-5-6-2-3-8(10)7(4-11)9(6)12-13/h2-3,5H,1H3
InChIKeyCWJXVSNJJRGQTL-UHFFFAOYSA-N
MW175.17 g/mol
LogP1.58
Rot. Bonds

About 6-fluoro-2-methylindazole-7-carbonitrile

6-fluoro-2-methylindazole-7-carbonitrile (PubChem CID 83385402) has the molecular formula C9H6FN3 and a molecular weight of 175.17 g/mol. Its IUPAC name is 6-fluoro-2-methylindazole-7-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-methylindazole-7-carbonitrile
PubChem CID83385402
Molecular FormulaC9H6FN3
Molecular Weight175.17 g/mol
Exact Mass175.05
IUPAC Name6-fluoro-2-methylindazole-7-carbonitrile
SMILESCn1cc2ccc(F)c(C#N)c2n1
InChIInChI=1S/C9H6FN3/c1-13-5-6-2-3-8(10)7(4-11)9(6)12-13/h2-3,5H,1H3
InChIKeyCWJXVSNJJRGQTL-UHFFFAOYSA-N
XLogP1.58
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylindazole-7-carbonitrile?
The IUPAC name of 6-fluoro-2-methylindazole-7-carbonitrile (CID 83385402) is 6-fluoro-2-methylindazole-7-carbonitrile.
What is the SMILES notation for 6-fluoro-2-methylindazole-7-carbonitrile?
The canonical SMILES for 6-fluoro-2-methylindazole-7-carbonitrile is Cn1cc2ccc(F)c(C#N)c2n1.
What is the InChIKey of 6-fluoro-2-methylindazole-7-carbonitrile?
The InChIKey is CWJXVSNJJRGQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3/c1-13-5-6-2-3-8(10)7(4-11)9(6)12-13/h2-3,5H,1H3.
What are the key properties of 6-fluoro-2-methylindazole-7-carbonitrile?
6-fluoro-2-methylindazole-7-carbonitrile has a molecular weight of 175.17 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 83385402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).