6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole

C14H9Cl2N3O2 — CID 59148050

IUPAC6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole
SMILESO=[N+]([O-])c1cc2cn(Cc3ccc(Cl)cc3)nc2cc1Cl
InChIInChI=1S/C14H9Cl2N3O2/c15-11-3-1-9(2-4-11)7-18-8-10-5-14(19(20)21)12(16)6-13(10)17-18/h1-6,8H,7H2
InChIKeyCFYWCNGAAMDXJH-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.30
Rot. Bonds3

About 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole

6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole (PubChem CID 59148050) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole.

Molecular Properties

Compound Name6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole
PubChem CID59148050
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole
SMILESO=[N+]([O-])c1cc2cn(Cc3ccc(Cl)cc3)nc2cc1Cl
InChIInChI=1S/C14H9Cl2N3O2/c15-11-3-1-9(2-4-11)7-18-8-10-5-14(19(20)21)12(16)6-13(10)17-18/h1-6,8H,7H2
InChIKeyCFYWCNGAAMDXJH-UHFFFAOYSA-N
XLogP4.30
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindazole
CID 59148100
6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole
CID 67964828
4-chloro-1-[(3,4-difluorophenyl)methyl]-3-nitropyrazole
CID 82930503
1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole
CID 973667
2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid
CID 176884945
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-nitropyrazole
CID 107885716
1-[(4-fluorophenyl)methyl]-3-methyl-4-nitropyrazole
CID 75500187
4-(2-chloro-5-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazole
CID 141188351
1-[(3-bromo-4-fluorophenyl)methyl]-4-nitropyrazole-3-carboxylic acid
CID 107345636
1-[(4-fluorophenyl)methyl]-4-nitro-3-(trifluoromethyl)pyrazole
CID 118678553
4-chloro-1-[(4-methylphenyl)methyl]-3-nitropyrazole
CID 17024843
2-benzyl-5-fluoroindazole-6-carboxylic acid
CID 169188080

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole?
The IUPAC name of 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole (CID 59148050) is 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole.
What is the SMILES notation for 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole?
The canonical SMILES for 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole is O=[N+]([O-])c1cc2cn(Cc3ccc(Cl)cc3)nc2cc1Cl.
What is the InChIKey of 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole?
The InChIKey is CFYWCNGAAMDXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-11-3-1-9(2-4-11)7-18-8-10-5-14(19(20)21)12(16)6-13(10)17-18/h1-6,8H,7H2.
What are the key properties of 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole?
6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole has a molecular weight of 322.15 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole is sourced from PubChem (CID 59148050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).