2-(1H-indazol-5-yl)acetonitrile

C9H7N3 — CID 55267181

IUPAC2-(1H-indazol-5-yl)acetonitrile
SMILESN#CCc1ccc2[nH]ncc2c1
InChIInChI=1S/C9H7N3/c10-4-3-7-1-2-9-8(5-7)6-11-12-9/h1-2,5-6H,3H2,(H,11,12)
InChIKeyGQRRKEBZJBTOTM-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.63
Rot. Bonds1

About 2-(1H-indazol-5-yl)acetonitrile

2-(1H-indazol-5-yl)acetonitrile (PubChem CID 55267181) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)acetonitrile
PubChem CID55267181
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-(1H-indazol-5-yl)acetonitrile
SMILESN#CCc1ccc2[nH]ncc2c1
InChIInChI=1S/C9H7N3/c10-4-3-7-1-2-9-8(5-7)6-11-12-9/h1-2,5-6H,3H2,(H,11,12)
InChIKeyGQRRKEBZJBTOTM-UHFFFAOYSA-N
XLogP1.63
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)acetonitrile?
The IUPAC name of 2-(1H-indazol-5-yl)acetonitrile (CID 55267181) is 2-(1H-indazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(1H-indazol-5-yl)acetonitrile?
The canonical SMILES for 2-(1H-indazol-5-yl)acetonitrile is N#CCc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)acetonitrile?
The InChIKey is GQRRKEBZJBTOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-4-3-7-1-2-9-8(5-7)6-11-12-9/h1-2,5-6H,3H2,(H,11,12).
What are the key properties of 2-(1H-indazol-5-yl)acetonitrile?
2-(1H-indazol-5-yl)acetonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)acetonitrile is sourced from PubChem (CID 55267181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).