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

C9H6ClNO2 — CID 88648935

IUPAC(2-chloro-1H-indol-3-yl) formate
SMILESO=COc1c(Cl)[nH]c2ccccc12
InChIInChI=1S/C9H6ClNO2/c10-9-8(13-5-12)6-3-1-2-4-7(6)11-9/h1-5,11H
InChIKeyLYXUEZFKSWVFRT-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.36
Rot. Bonds2

About (2-chloro-1H-indol-3-yl) formate

(2-chloro-1H-indol-3-yl) formate (PubChem CID 88648935) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is (2-chloro-1H-indol-3-yl) formate.

Molecular Properties

Compound Name(2-chloro-1H-indol-3-yl) formate
PubChem CID88648935
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name(2-chloro-1H-indol-3-yl) formate
SMILESO=COc1c(Cl)[nH]c2ccccc12
InChIInChI=1S/C9H6ClNO2/c10-9-8(13-5-12)6-3-1-2-4-7(6)11-9/h1-5,11H
InChIKeyLYXUEZFKSWVFRT-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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Related Compounds

(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
CID 140979730
2-(2-chloro-1H-indol-3-yl)acetamide
CID 21191872
3-benzyl-2-chloro-1H-indole
CID 12605517
(2-chloro-1H-indol-3-yl) dihydrogen phosphate;2-methylaniline
CID 174947086
2-chloro-3H-benzo[e]indole-1-carbaldehyde
CID 4210313
9H-carbazole
CID 66668984
(E)-3-(2-chloro-1H-indol-3-yl)-2-methylprop-2-enoic acid
CID 10376801
calcium;hydride;1H-indol-3-yl formate;hydrochloride
CID 175504569
(E)-3-(3-chloro-1H-indol-2-yl)-1-phenylprop-2-en-1-one
CID 138966076
9H-carbazole;sulfuryl dichloride
CID 158008992
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1H-indol-3-yl) formate?
The IUPAC name of (2-chloro-1H-indol-3-yl) formate (CID 88648935) is (2-chloro-1H-indol-3-yl) formate.
What is the SMILES notation for (2-chloro-1H-indol-3-yl) formate?
The canonical SMILES for (2-chloro-1H-indol-3-yl) formate is O=COc1c(Cl)[nH]c2ccccc12.
What is the InChIKey of (2-chloro-1H-indol-3-yl) formate?
The InChIKey is LYXUEZFKSWVFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-9-8(13-5-12)6-3-1-2-4-7(6)11-9/h1-5,11H.
What are the key properties of (2-chloro-1H-indol-3-yl) formate?
(2-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 (2-chloro-1H-indol-3-yl) formate is sourced from PubChem (CID 88648935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).