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

C15H9Cl2N3 — CID 59702374

IUPAC7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C#N
InChIInChI=1S/C15H9Cl2N3/c1-20-14(8-18)12-4-2-3-11(15(12)19-20)10-6-5-9(16)7-13(10)17/h2-7H,1H3
InChIKeyPYTGRUNFTAFIBO-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.42
Rot. Bonds1

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

7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile (PubChem CID 59702374) has the molecular formula C15H9Cl2N3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile
PubChem CID59702374
Molecular FormulaC15H9Cl2N3
Molecular Weight302.16 g/mol
Exact Mass301.02
IUPAC Name7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C#N
InChIInChI=1S/C15H9Cl2N3/c1-20-14(8-18)12-4-2-3-11(15(12)19-20)10-6-5-9(16)7-13(10)17/h2-7H,1H3
InChIKeyPYTGRUNFTAFIBO-UHFFFAOYSA-N
XLogP4.42
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile?
The IUPAC name of 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile (CID 59702374) is 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile?
The canonical SMILES for 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile is Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C#N.
What is the InChIKey of 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile?
The InChIKey is PYTGRUNFTAFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3/c1-20-14(8-18)12-4-2-3-11(15(12)19-20)10-6-5-9(16)7-13(10)17/h2-7H,1H3.
What are the key properties of 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile?
7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile has a molecular weight of 302.16 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile is sourced from PubChem (CID 59702374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).