3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole

C20H13Cl2N3 — CID 22978121

IUPAC3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
SMILESClc1cccc(Cl)c1/C=C/c1n[nH]c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C20H13Cl2N3/c21-17-2-1-3-18(22)15(17)6-7-19-16-5-4-14(12-20(16)25-24-19)13-8-10-23-11-9-13/h1-12H,(H,24,25)/b7-6+
InChIKeyWPNXXBKHAHMBEV-VOTSOKGWSA-N
MW366.25 g/mol
LogP6.10
Rot. Bonds3

About 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole

3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole (PubChem CID 22978121) has the molecular formula C20H13Cl2N3 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
PubChem CID22978121
Molecular FormulaC20H13Cl2N3
Molecular Weight366.25 g/mol
Exact Mass365.05
IUPAC Name3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
SMILESClc1cccc(Cl)c1/C=C/c1n[nH]c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C20H13Cl2N3/c21-17-2-1-3-18(22)15(17)6-7-19-16-5-4-14(12-20(16)25-24-19)13-8-10-23-11-9-13/h1-12H,(H,24,25)/b7-6+
InChIKeyWPNXXBKHAHMBEV-VOTSOKGWSA-N
XLogP6.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The IUPAC name of 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole (CID 22978121) is 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The canonical SMILES for 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole is Clc1cccc(Cl)c1/C=C/c1n[nH]c2cc(-c3ccncc3)ccc12.
What is the InChIKey of 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The InChIKey is WPNXXBKHAHMBEV-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H13Cl2N3/c21-17-2-1-3-18(22)15(17)6-7-19-16-5-4-14(12-20(16)25-24-19)13-8-10-23-11-9-13/h1-12H,(H,24,25)/b7-6+.
What are the key properties of 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole has a molecular weight of 366.25 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,6-dichlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 22978121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).