6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol

C16H12Cl2N2O — CID 137006440

IUPAC6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1c(Cl)cccc1/N=C/c1c(O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12Cl2N2O/c1-9-13(18)3-2-4-14(9)19-8-12-11-6-5-10(17)7-15(11)20-16(12)21/h2-8,20-21H,1H3/b19-8+
InChIKeyMMGHETCIFNAYHS-UFWORHAWSA-N
MW319.19 g/mol
LogP5.24
Rot. Bonds2

About 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol

6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 137006440) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID137006440
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1c(Cl)cccc1/N=C/c1c(O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12Cl2N2O/c1-9-13(18)3-2-4-14(9)19-8-12-11-6-5-10(17)7-15(11)20-16(12)21/h2-8,20-21H,1H3/b19-8+
InChIKeyMMGHETCIFNAYHS-UFWORHAWSA-N
XLogP5.24
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006510
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158
3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 136996138
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199
6-chloro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 137006478
methyl 2-[(5-chloro-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 136996242
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol
CID 90846710

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol (CID 137006440) is 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol is Cc1c(Cl)cccc1/N=C/c1c(O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is MMGHETCIFNAYHS-UFWORHAWSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-13(18)3-2-4-14(9)19-8-12-11-6-5-10(17)7-15(11)20-16(12)21/h2-8,20-21H,1H3/b19-8+.
What are the key properties of 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol?
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 319.19 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).