4-chloro-1H-indazole-5-carbonitrile

C8H4ClN3 — CID 53399359

IUPAC4-chloro-1H-indazole-5-carbonitrile
SMILESN#Cc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C8H4ClN3/c9-8-5(3-10)1-2-7-6(8)4-11-12-7/h1-2,4H,(H,11,12)
InChIKeyHKLXPJOGSHCVGX-UHFFFAOYSA-N
MW177.59 g/mol
LogP2.09
Rot. Bonds

About 4-chloro-1H-indazole-5-carbonitrile

4-chloro-1H-indazole-5-carbonitrile (PubChem CID 53399359) has the molecular formula C8H4ClN3 and a molecular weight of 177.59 g/mol. Its IUPAC name is 4-chloro-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-1H-indazole-5-carbonitrile
PubChem CID53399359
Molecular FormulaC8H4ClN3
Molecular Weight177.59 g/mol
Exact Mass177.01
IUPAC Name4-chloro-1H-indazole-5-carbonitrile
SMILESN#Cc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C8H4ClN3/c9-8-5(3-10)1-2-7-6(8)4-11-12-7/h1-2,4H,(H,11,12)
InChIKeyHKLXPJOGSHCVGX-UHFFFAOYSA-N
XLogP2.09
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-indazole-5-carbonitrile?
The IUPAC name of 4-chloro-1H-indazole-5-carbonitrile (CID 53399359) is 4-chloro-1H-indazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-1H-indazole-5-carbonitrile?
The canonical SMILES for 4-chloro-1H-indazole-5-carbonitrile is N#Cc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 4-chloro-1H-indazole-5-carbonitrile?
The InChIKey is HKLXPJOGSHCVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3/c9-8-5(3-10)1-2-7-6(8)4-11-12-7/h1-2,4H,(H,11,12).
What are the key properties of 4-chloro-1H-indazole-5-carbonitrile?
4-chloro-1H-indazole-5-carbonitrile has a molecular weight of 177.59 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-indazole-5-carbonitrile is sourced from PubChem (CID 53399359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).