1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid

C16H10Cl2FNO3 — CID 10291672

IUPAC1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(O)c(F)cc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2FNO3/c17-10-2-1-8(3-11(10)18)7-20-13-6-12(19)15(21)5-9(13)4-14(20)16(22)23/h1-6,21H,7H2,(H,22,23)
InChIKeyVHPDLTZTLBFZJT-UHFFFAOYSA-N
MW354.16 g/mol
LogP4.54
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid

1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid (PubChem CID 10291672) has the molecular formula C16H10Cl2FNO3 and a molecular weight of 354.16 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid
PubChem CID10291672
Molecular FormulaC16H10Cl2FNO3
Molecular Weight354.16 g/mol
Exact Mass353.00
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(O)c(F)cc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2FNO3/c17-10-2-1-8(3-11(10)18)7-20-13-6-12(19)15(21)5-9(13)4-14(20)16(22)23/h1-6,21H,7H2,(H,22,23)
InChIKeyVHPDLTZTLBFZJT-UHFFFAOYSA-N
XLogP4.54
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid (CID 10291672) is 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid is O=C(O)c1cc2cc(O)c(F)cc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid?
The InChIKey is VHPDLTZTLBFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO3/c17-10-2-1-8(3-11(10)18)7-20-13-6-12(19)15(21)5-9(13)4-14(20)16(22)23/h1-6,21H,7H2,(H,22,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid?
1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid has a molecular weight of 354.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid is sourced from PubChem (CID 10291672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).