5-chloro-3H-benzo[e]indazole

C11H7ClN2 — CID 19847255

IUPAC5-chloro-3H-benzo[e]indazole
SMILESClc1cc2[nH]ncc2c2ccccc12
InChIInChI=1S/C11H7ClN2/c12-10-5-11-9(6-13-14-11)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
InChIKeyLINMCZSLAIQWHG-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.37
Rot. Bonds

About 5-chloro-3H-benzo[e]indazole

5-chloro-3H-benzo[e]indazole (PubChem CID 19847255) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-chloro-3H-benzo[e]indazole.

Molecular Properties

Compound Name5-chloro-3H-benzo[e]indazole
PubChem CID19847255
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name5-chloro-3H-benzo[e]indazole
SMILESClc1cc2[nH]ncc2c2ccccc12
InChIInChI=1S/C11H7ClN2/c12-10-5-11-9(6-13-14-11)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
InChIKeyLINMCZSLAIQWHG-UHFFFAOYSA-N
XLogP3.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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MAO-B Inhibitor 58
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N-(4-chloro-3-fluorophenyl)-1-(1H-indazol-5-yl)methanimine
CID 77844769
N-(3-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)methanimine
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4-Chloro-1H-indazole
CID 393037
(10R)-4-chloro-10-phenyl-3,6,7,8,9,10-hexahydropyrazolo[3,4-i][3]benzazepine
CID 9971880
(10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine
CID 10244974
5-(2-ethylphenyl)-1H-indazole
CID 90645444
6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645459
6-chloro-4-phenyl-1H-indazole
CID 127047863
5-(2-chlorophenyl)-1H-indazole
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5-(2-methylphenyl)-1H-indazole
CID 90645443

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3H-benzo[e]indazole?
The IUPAC name of 5-chloro-3H-benzo[e]indazole (CID 19847255) is 5-chloro-3H-benzo[e]indazole.
What is the SMILES notation for 5-chloro-3H-benzo[e]indazole?
The canonical SMILES for 5-chloro-3H-benzo[e]indazole is Clc1cc2[nH]ncc2c2ccccc12.
What is the InChIKey of 5-chloro-3H-benzo[e]indazole?
The InChIKey is LINMCZSLAIQWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c12-10-5-11-9(6-13-14-11)7-3-1-2-4-8(7)10/h1-6H,(H,13,14).
What are the key properties of 5-chloro-3H-benzo[e]indazole?
5-chloro-3H-benzo[e]indazole has a molecular weight of 202.64 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3H-benzo[e]indazole is sourced from PubChem (CID 19847255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).