(4-chloro-1H-indol-3-yl) formate

C9H6ClNO2 — CID 175242708

IUPAC(4-chloro-1H-indol-3-yl) formate
SMILESO=COc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C9H6ClNO2/c10-6-2-1-3-7-9(6)8(4-11-7)13-5-12/h1-5,11H
InChIKeyVJGJTBQYVNTEHW-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.36
Rot. Bonds2

About (4-chloro-1H-indol-3-yl) formate

(4-chloro-1H-indol-3-yl) formate (PubChem CID 175242708) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is (4-chloro-1H-indol-3-yl) formate.

Molecular Properties

Compound Name(4-chloro-1H-indol-3-yl) formate
PubChem CID175242708
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name(4-chloro-1H-indol-3-yl) formate
SMILESO=COc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C9H6ClNO2/c10-6-2-1-3-7-9(6)8(4-11-7)13-5-12/h1-5,11H
InChIKeyVJGJTBQYVNTEHW-UHFFFAOYSA-N
XLogP2.36
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-3-yl) formate?
The IUPAC name of (4-chloro-1H-indol-3-yl) formate (CID 175242708) is (4-chloro-1H-indol-3-yl) formate.
What is the SMILES notation for (4-chloro-1H-indol-3-yl) formate?
The canonical SMILES for (4-chloro-1H-indol-3-yl) formate is O=COc1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (4-chloro-1H-indol-3-yl) formate?
The InChIKey is VJGJTBQYVNTEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-9(6)8(4-11-7)13-5-12/h1-5,11H.
What are the key properties of (4-chloro-1H-indol-3-yl) formate?
(4-chloro-1H-indol-3-yl) formate has a molecular weight of 195.61 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-3-yl) formate is sourced from PubChem (CID 175242708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).