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

C15H9ClF2N2O — CID 137006510

IUPAC6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(Cl)ccc2c1/C=N/c1c(F)cccc1F
InChIInChI=1S/C15H9ClF2N2O/c16-8-4-5-9-10(15(21)20-13(9)6-8)7-19-14-11(17)2-1-3-12(14)18/h1-7,20-21H/b19-7+
InChIKeyNBLPJRZCCGDUBB-FBCYGCLPSA-N
MW306.70 g/mol
LogP4.56
Rot. Bonds2

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

6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 137006510) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
PubChem CID137006510
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(Cl)ccc2c1/C=N/c1c(F)cccc1F
InChIInChI=1S/C15H9ClF2N2O/c16-8-4-5-9-10(15(21)20-13(9)6-8)7-19-14-11(17)2-1-3-12(14)18/h1-7,20-21H/b19-7+
InChIKeyNBLPJRZCCGDUBB-FBCYGCLPSA-N
XLogP4.56
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.56
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-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440
6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol
CID 90846710
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375
6-chloro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 137006478
3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 136995976
3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 136996138
5-chloro-3-[[4-(hydroxymethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482145
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4195029

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol (CID 137006510) is 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol is Oc1[nH]c2cc(Cl)ccc2c1/C=N/c1c(F)cccc1F.
What is the InChIKey of 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is NBLPJRZCCGDUBB-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c16-8-4-5-9-10(15(21)20-13(9)6-8)7-19-14-11(17)2-1-3-12(14)18/h1-7,20-21H/b19-7+.
What are the key properties of 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol?
6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 306.70 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).