7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol

C18H14FN3O2 — CID 135423803

IUPAC7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol
SMILESCO/N=C1/C(c2c(O)n(C)c3c(F)cccc23)=Nc2ccccc21
InChIInChI=1S/C18H14FN3O2/c1-22-17-11(7-5-8-12(17)19)14(18(22)23)16-15(21-24-2)10-6-3-4-9-13(10)20-16/h3-9,23H,1-2H3/b21-15+
InChIKeyMWPNVABZSMJCTI-RCCKNPSSSA-N
MW323.33 g/mol
LogP3.51
Rot. Bonds2

About 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol

7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol (PubChem CID 135423803) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol.

Molecular Properties

Compound Name7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol
PubChem CID135423803
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol
SMILESCO/N=C1/C(c2c(O)n(C)c3c(F)cccc23)=Nc2ccccc21
InChIInChI=1S/C18H14FN3O2/c1-22-17-11(7-5-8-12(17)19)14(18(22)23)16-15(21-24-2)10-6-3-4-9-13(10)20-16/h3-9,23H,1-2H3/b21-15+
InChIKeyMWPNVABZSMJCTI-RCCKNPSSSA-N
XLogP3.51
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol?
The IUPAC name of 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol (CID 135423803) is 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol.
What is the SMILES notation for 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol?
The canonical SMILES for 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol is CO/N=C1/C(c2c(O)n(C)c3c(F)cccc23)=Nc2ccccc21.
What is the InChIKey of 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol?
The InChIKey is MWPNVABZSMJCTI-RCCKNPSSSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-22-17-11(7-5-8-12(17)19)14(18(22)23)16-15(21-24-2)10-6-3-4-9-13(10)20-16/h3-9,23H,1-2H3/b21-15+.
What are the key properties of 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol?
7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol has a molecular weight of 323.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol is sourced from PubChem (CID 135423803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).