3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol

C16H12ClFN2O — CID 137006158

IUPAC3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
SMILESCc1ccc2c(/C=N/c3ccc(F)c(Cl)c3)c(O)[nH]c2c1
InChIInChI=1S/C16H12ClFN2O/c1-9-2-4-11-12(16(21)20-15(11)6-9)8-19-10-3-5-14(18)13(17)7-10/h2-8,20-21H,1H3/b19-8+
InChIKeySOGUYTYGVKJHQJ-UFWORHAWSA-N
MW302.74 g/mol
LogP4.73
Rot. Bonds2

About 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol

3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol (PubChem CID 137006158) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
PubChem CID137006158
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
SMILESCc1ccc2c(/C=N/c3ccc(F)c(Cl)c3)c(O)[nH]c2c1
InChIInChI=1S/C16H12ClFN2O/c1-9-2-4-11-12(16(21)20-15(11)6-9)8-19-10-3-5-14(18)13(17)7-10/h2-8,20-21H,1H3/b19-8+
InChIKeySOGUYTYGVKJHQJ-UFWORHAWSA-N
XLogP4.73
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.73
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-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006190
6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006510
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440
5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135433555
6-chloro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 137006478
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136996612
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006304

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol (CID 137006158) is 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol is Cc1ccc2c(/C=N/c3ccc(F)c(Cl)c3)c(O)[nH]c2c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol?
The InChIKey is SOGUYTYGVKJHQJ-UFWORHAWSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-2-4-11-12(16(21)20-15(11)6-9)8-19-10-3-5-14(18)13(17)7-10/h2-8,20-21H,1H3/b19-8+.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol?
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol has a molecular weight of 302.74 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol is sourced from PubChem (CID 137006158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).