2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile

C14H9ClN4 — CID 62494224

IUPAC2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1-n1ncc2ccc(N)cc21
InChIInChI=1S/C14H9ClN4/c15-11-2-4-13(10(5-11)7-16)19-14-6-12(17)3-1-9(14)8-18-19/h1-6,8H,17H2
InChIKeyWRTMGAOOBYCOBF-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.13
Rot. Bonds1

About 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile

2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile (PubChem CID 62494224) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile
PubChem CID62494224
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1-n1ncc2ccc(N)cc21
InChIInChI=1S/C14H9ClN4/c15-11-2-4-13(10(5-11)7-16)19-14-6-12(17)3-1-9(14)8-18-19/h1-6,8H,17H2
InChIKeyWRTMGAOOBYCOBF-UHFFFAOYSA-N
XLogP3.13
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile?
The IUPAC name of 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile (CID 62494224) is 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile.
What is the SMILES notation for 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile?
The canonical SMILES for 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1-n1ncc2ccc(N)cc21.
What is the InChIKey of 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile?
The InChIKey is WRTMGAOOBYCOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c15-11-2-4-13(10(5-11)7-16)19-14-6-12(17)3-1-9(14)8-18-19/h1-6,8H,17H2.
What are the key properties of 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile?
2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile has a molecular weight of 268.71 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile is sourced from PubChem (CID 62494224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).