4,6-dichloro-1-[(3-nitrophenyl)methyl]indole

C15H10Cl2N2O2 — CID 103428182

IUPAC4,6-dichloro-1-[(3-nitrophenyl)methyl]indole
SMILESO=[N+]([O-])c1cccc(Cn2ccc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-11-7-14(17)13-4-5-18(15(13)8-11)9-10-2-1-3-12(6-10)19(20)21/h1-8H,9H2
InChIKeyIMAOOHLDOVYFOE-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.90
Rot. Bonds3

About 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole

4,6-dichloro-1-[(3-nitrophenyl)methyl]indole (PubChem CID 103428182) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(3-nitrophenyl)methyl]indole
PubChem CID103428182
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name4,6-dichloro-1-[(3-nitrophenyl)methyl]indole
SMILESO=[N+]([O-])c1cccc(Cn2ccc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-11-7-14(17)13-4-5-18(15(13)8-11)9-10-2-1-3-12(6-10)19(20)21/h1-8H,9H2
InChIKeyIMAOOHLDOVYFOE-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

1-[(3-chlorophenyl)methyl]-4-nitroindole
CID 115635423
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
5-methoxy-1-[(3-nitrophenyl)methyl]indole
CID 116619348
1-[(3-nitrophenyl)methyl]pyrrole-2-carbonitrile
CID 114652578
6-chloro-1-[(4-nitrophenyl)methyl]indole
CID 116620550
1-[(3-chloro-4-fluorophenyl)methyl]-6-nitroindole
CID 103041484
6,8-dichloro-2-[(3-nitrophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 68663468
4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole
CID 103428267
1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379
1-[(3-methylphenyl)methyl]-6-nitroindole
CID 116620954
4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole
CID 103428232
5-bromo-6-chloro-3-[(3-nitrophenyl)methyl]pyrimidin-4-one
CID 114583616

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole?
The IUPAC name of 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole (CID 103428182) is 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole is O=[N+]([O-])c1cccc(Cn2ccc3c(Cl)cc(Cl)cc32)c1.
What is the InChIKey of 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole?
The InChIKey is IMAOOHLDOVYFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-11-7-14(17)13-4-5-18(15(13)8-11)9-10-2-1-3-12(6-10)19(20)21/h1-8H,9H2.
What are the key properties of 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole?
4,6-dichloro-1-[(3-nitrophenyl)methyl]indole 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 4,6-dichloro-1-[(3-nitrophenyl)methyl]indole is sourced from PubChem (CID 103428182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).