3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol

C16H13FN2O — CID 136995957

IUPAC3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/Cc1ccccc1F
InChIInChI=1S/C16H13FN2O/c17-14-7-3-1-5-11(14)9-18-10-13-12-6-2-4-8-15(12)19-16(13)20/h1-8,10,19-20H,9H2/b18-10+
InChIKeyKMYLCYTTXVKTBV-VCHYOVAHSA-N
MW268.29 g/mol
LogP3.63
Rot. Bonds3

About 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol

3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol (PubChem CID 136995957) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol
PubChem CID136995957
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/Cc1ccccc1F
InChIInChI=1S/C16H13FN2O/c17-14-7-3-1-5-11(14)9-18-10-13-12-6-2-4-8-15(12)19-16(13)20/h1-8,10,19-20H,9H2/b18-10+
InChIKeyKMYLCYTTXVKTBV-VCHYOVAHSA-N
XLogP3.63
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.63
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

3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995955
3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 2256130
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
1-[(2-fluorophenyl)methyliminomethyl]naphthalen-2-ol
CID 135595992
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4195029
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol
CID 2256128
3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136995960
3-(cyclooctyliminomethyl)-1H-indol-2-ol
CID 2256129

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol (CID 136995957) is 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol?
The InChIKey is KMYLCYTTXVKTBV-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-7-3-1-5-11(14)9-18-10-13-12-6-2-4-8-15(12)19-16(13)20/h1-8,10,19-20H,9H2/b18-10+.
What are the key properties of 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol?
3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol has a molecular weight of 268.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136995957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).