chloro 1H-indole-2-carboxylate

C9H6ClNO2 — CID 68813525

IUPACchloro 1H-indole-2-carboxylate
SMILESO=C(OCl)c1cc2ccccc2[nH]1
InChIInChI=1S/C9H6ClNO2/c10-13-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H
InChIKeyLWGWCWSEXXHEHD-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.48
Rot. Bonds1

About chloro 1H-indole-2-carboxylate

chloro 1H-indole-2-carboxylate (PubChem CID 68813525) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is chloro 1H-indole-2-carboxylate.

Molecular Properties

Compound Namechloro 1H-indole-2-carboxylate
PubChem CID68813525
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Namechloro 1H-indole-2-carboxylate
SMILESO=C(OCl)c1cc2ccccc2[nH]1
InChIInChI=1S/C9H6ClNO2/c10-13-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H
InChIKeyLWGWCWSEXXHEHD-UHFFFAOYSA-N
XLogP2.48
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
(3,5-dimethylphenyl) 1H-indole-2-carboxylate
CID 150748218
1H-indole-2-carbothioic S-acid
CID 4713092
3-(1H-indole-2-carbonyloxy)benzoic acid
CID 71564706
ethane;1H-indole-2-carboxylic acid
CID 91052830
(4-nitrophenyl) 1H-indole-2-carboxylate
CID 19897924
(4-acetamidophenyl) 1H-indole-2-carboxylate
CID 51152616
butyl 1H-indole-2-carboxylate
CID 54052397
chloro N-(1H-indol-2-yl)carbamate
CID 174677081
(E)-4-(1H-indol-2-yl)-4-oxobut-2-enoic acid
CID 12618365
(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate
CID 54385727
2-nitroethyl 1H-indole-2-carboxylate
CID 142793675

Frequently Asked Questions

What is the IUPAC name of chloro 1H-indole-2-carboxylate?
The IUPAC name of chloro 1H-indole-2-carboxylate (CID 68813525) is chloro 1H-indole-2-carboxylate.
What is the SMILES notation for chloro 1H-indole-2-carboxylate?
The canonical SMILES for chloro 1H-indole-2-carboxylate is O=C(OCl)c1cc2ccccc2[nH]1.
What is the InChIKey of chloro 1H-indole-2-carboxylate?
The InChIKey is LWGWCWSEXXHEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-13-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H.
What are the key properties of chloro 1H-indole-2-carboxylate?
chloro 1H-indole-2-carboxylate has a molecular weight of 195.61 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 1H-indole-2-carboxylate is sourced from PubChem (CID 68813525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).