6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole

C15H10Cl2N2O2 — CID 67964828

IUPAC6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole
SMILESO=[N+]([O-])c1cc2ccn(Cc3ccc(Cl)cc3)c2cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c16-12-3-1-10(2-4-12)9-18-6-5-11-7-15(19(20)21)13(17)8-14(11)18/h1-8H,9H2
InChIKeyPLTNOTNSAZFYNA-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.90
Rot. Bonds3

About 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole

6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole (PubChem CID 67964828) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole.

Molecular Properties

Compound Name6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole
PubChem CID67964828
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole
SMILESO=[N+]([O-])c1cc2ccn(Cc3ccc(Cl)cc3)c2cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c16-12-3-1-10(2-4-12)9-18-6-5-11-7-15(19(20)21)13(17)8-14(11)18/h1-8H,9H2
InChIKeyPLTNOTNSAZFYNA-UHFFFAOYSA-N
XLogP4.90
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-nitrophenyl)methyl]indole
CID 116620550
6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindazole
CID 59148100
1-[(3-chloro-4-fluorophenyl)methyl]-6-nitroindole
CID 103041484
6-chloro-2-[(4-chlorophenyl)methyl]-5-nitroindazole
CID 59148050
1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
CID 22256781
5-bromo-1-[(4-chloro-2-nitrophenyl)methyl]indole
CID 116619539
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
CID 116621083
1-[(4-bromophenyl)methyl]-6-nitroindole
CID 116621093
1-[(4-methyl-3-nitrophenyl)methyl]indol-5-ol
CID 139959961
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
1-[(3-chlorophenyl)methyl]-4-nitroindole
CID 115635423

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole?
The IUPAC name of 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole (CID 67964828) is 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole.
What is the SMILES notation for 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole?
The canonical SMILES for 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole is O=[N+]([O-])c1cc2ccn(Cc3ccc(Cl)cc3)c2cc1Cl.
What is the InChIKey of 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole?
The InChIKey is PLTNOTNSAZFYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-12-3-1-10(2-4-12)9-18-6-5-11-7-15(19(20)21)13(17)8-14(11)18/h1-8H,9H2.
What are the key properties of 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole?
6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole has a molecular weight of 321.16 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole is sourced from PubChem (CID 67964828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).