1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine

C14H9Cl2N3 — CID 154310922

IUPAC1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine
SMILESClc1ccc(/C=N/c2ccc3cn[nH]c3c2)cc1Cl
InChIInChI=1S/C14H9Cl2N3/c15-12-4-1-9(5-13(12)16)7-17-11-3-2-10-8-18-19-14(10)6-11/h1-8H,(H,18,19)/b17-7+
InChIKeyHNHGFMUCHFXXMO-REZTVBANSA-N
MW290.15 g/mol
LogP4.62
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine

1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine (PubChem CID 154310922) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine
PubChem CID154310922
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine
SMILESClc1ccc(/C=N/c2ccc3cn[nH]c3c2)cc1Cl
InChIInChI=1S/C14H9Cl2N3/c15-12-4-1-9(5-13(12)16)7-17-11-3-2-10-8-18-19-14(10)6-11/h1-8H,(H,18,19)/b17-7+
InChIKeyHNHGFMUCHFXXMO-REZTVBANSA-N
XLogP4.62
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine (CID 154310922) is 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine is Clc1ccc(/C=N/c2ccc3cn[nH]c3c2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine?
The InChIKey is HNHGFMUCHFXXMO-REZTVBANSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-12-4-1-9(5-13(12)16)7-17-11-3-2-10-8-18-19-14(10)6-11/h1-8H,(H,18,19)/b17-7+.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine?
1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine has a molecular weight of 290.15 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(1H-indazol-6-yl)methanimine is sourced from PubChem (CID 154310922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).