3-formyl-1-methylindazole-6-carbonitrile

C10H7N3O — CID 86728966

IUPAC3-formyl-1-methylindazole-6-carbonitrile
SMILESCn1nc(C=O)c2ccc(C#N)cc21
InChIInChI=1S/C10H7N3O/c1-13-10-4-7(5-11)2-3-8(10)9(6-14)12-13/h2-4,6H,1H3
InChIKeyDFDFYXMUOFYCQD-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.26
Rot. Bonds1

About 3-formyl-1-methylindazole-6-carbonitrile

3-formyl-1-methylindazole-6-carbonitrile (PubChem CID 86728966) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-formyl-1-methylindazole-6-carbonitrile.

Molecular Properties

Compound Name3-formyl-1-methylindazole-6-carbonitrile
PubChem CID86728966
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name3-formyl-1-methylindazole-6-carbonitrile
SMILESCn1nc(C=O)c2ccc(C#N)cc21
InChIInChI=1S/C10H7N3O/c1-13-10-4-7(5-11)2-3-8(10)9(6-14)12-13/h2-4,6H,1H3
InChIKeyDFDFYXMUOFYCQD-UHFFFAOYSA-N
XLogP1.26
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-1-methylindazole-6-carbonitrile?
The IUPAC name of 3-formyl-1-methylindazole-6-carbonitrile (CID 86728966) is 3-formyl-1-methylindazole-6-carbonitrile.
What is the SMILES notation for 3-formyl-1-methylindazole-6-carbonitrile?
The canonical SMILES for 3-formyl-1-methylindazole-6-carbonitrile is Cn1nc(C=O)c2ccc(C#N)cc21.
What is the InChIKey of 3-formyl-1-methylindazole-6-carbonitrile?
The InChIKey is DFDFYXMUOFYCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-13-10-4-7(5-11)2-3-8(10)9(6-14)12-13/h2-4,6H,1H3.
What are the key properties of 3-formyl-1-methylindazole-6-carbonitrile?
3-formyl-1-methylindazole-6-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-1-methylindazole-6-carbonitrile is sourced from PubChem (CID 86728966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).