7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole

C16H10Cl2N2 — CID 59702308

IUPAC7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
SMILESC#Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C
InChIInChI=1S/C16H10Cl2N2/c1-3-15-13-6-4-5-12(16(13)19-20(15)2)11-8-7-10(17)9-14(11)18/h1,4-9H,2H3
InChIKeyKVNQENCOHJXQNT-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.53
Rot. Bonds1

About 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole

7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole (PubChem CID 59702308) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
PubChem CID59702308
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
SMILESC#Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C
InChIInChI=1S/C16H10Cl2N2/c1-3-15-13-6-4-5-12(16(13)19-20(15)2)11-8-7-10(17)9-14(11)18/h1,4-9H,2H3
InChIKeyKVNQENCOHJXQNT-UHFFFAOYSA-N
XLogP4.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole?
The IUPAC name of 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole (CID 59702308) is 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole?
The canonical SMILES for 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole is C#Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C.
What is the InChIKey of 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole?
The InChIKey is KVNQENCOHJXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c1-3-15-13-6-4-5-12(16(13)19-20(15)2)11-8-7-10(17)9-14(11)18/h1,4-9H,2H3.
What are the key properties of 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole?
7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole has a molecular weight of 301.18 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole is sourced from PubChem (CID 59702308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).