[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol

C22H18ClFN2O2 — CID 118967159

IUPAC[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol
SMILESCOc1ccc2c(c1)c(-c1ccc(F)nc1)c(CO)n2Cc1ccccc1Cl
InChIInChI=1S/C22H18ClFN2O2/c1-28-16-7-8-19-17(10-16)22(14-6-9-21(24)25-11-14)20(13-27)26(19)12-15-4-2-3-5-18(15)23/h2-11,27H,12-13H2,1H3
InChIKeySRZVZQWROQNJDJ-UHFFFAOYSA-N
MW396.85 g/mol
LogP5.05
Rot. Bonds5

About [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol (PubChem CID 118967159) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol
PubChem CID118967159
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol
SMILESCOc1ccc2c(c1)c(-c1ccc(F)nc1)c(CO)n2Cc1ccccc1Cl
InChIInChI=1S/C22H18ClFN2O2/c1-28-16-7-8-19-17(10-16)22(14-6-9-21(24)25-11-14)20(13-27)26(19)12-15-4-2-3-5-18(15)23/h2-11,27H,12-13H2,1H3
InChIKeySRZVZQWROQNJDJ-UHFFFAOYSA-N
XLogP5.05
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.85
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol (CID 118967159) is [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol is COc1ccc2c(c1)c(-c1ccc(F)nc1)c(CO)n2Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol?
The InChIKey is SRZVZQWROQNJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-28-16-7-8-19-17(10-16)22(14-6-9-21(24)25-11-14)20(13-27)26(19)12-15-4-2-3-5-18(15)23/h2-11,27H,12-13H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol has a molecular weight of 396.85 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol is sourced from PubChem (CID 118967159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).