2-(1-methylindazol-6-yl)acetonitrile

C10H9N3 — CID 84765976

IUPAC2-(1-methylindazol-6-yl)acetonitrile
SMILESCn1ncc2ccc(CC#N)cc21
InChIInChI=1S/C10H9N3/c1-13-10-6-8(4-5-11)2-3-9(10)7-12-13/h2-3,6-7H,4H2,1H3
InChIKeyUQBIEUHGMIJAKI-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.64
Rot. Bonds1

About 2-(1-methylindazol-6-yl)acetonitrile

2-(1-methylindazol-6-yl)acetonitrile (PubChem CID 84765976) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(1-methylindazol-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methylindazol-6-yl)acetonitrile
PubChem CID84765976
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2-(1-methylindazol-6-yl)acetonitrile
SMILESCn1ncc2ccc(CC#N)cc21
InChIInChI=1S/C10H9N3/c1-13-10-6-8(4-5-11)2-3-9(10)7-12-13/h2-3,6-7H,4H2,1H3
InChIKeyUQBIEUHGMIJAKI-UHFFFAOYSA-N
XLogP1.64
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-6-yl)acetonitrile?
The IUPAC name of 2-(1-methylindazol-6-yl)acetonitrile (CID 84765976) is 2-(1-methylindazol-6-yl)acetonitrile.
What is the SMILES notation for 2-(1-methylindazol-6-yl)acetonitrile?
The canonical SMILES for 2-(1-methylindazol-6-yl)acetonitrile is Cn1ncc2ccc(CC#N)cc21.
What is the InChIKey of 2-(1-methylindazol-6-yl)acetonitrile?
The InChIKey is UQBIEUHGMIJAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-13-10-6-8(4-5-11)2-3-9(10)7-12-13/h2-3,6-7H,4H2,1H3.
What are the key properties of 2-(1-methylindazol-6-yl)acetonitrile?
2-(1-methylindazol-6-yl)acetonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-6-yl)acetonitrile is sourced from PubChem (CID 84765976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).