7-chloro-1-propylindole-2-carboxylic acid

C12H12ClNO2 — CID 83968460

IUPAC7-chloro-1-propylindole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)cc2cccc(Cl)c21
InChIInChI=1S/C12H12ClNO2/c1-2-6-14-10(12(15)16)7-8-4-3-5-9(13)11(8)14/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeySZWBHBTWYJAHSE-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.40
Rot. Bonds3

About 7-chloro-1-propylindole-2-carboxylic acid

7-chloro-1-propylindole-2-carboxylic acid (PubChem CID 83968460) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 7-chloro-1-propylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-propylindole-2-carboxylic acid
PubChem CID83968460
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name7-chloro-1-propylindole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)cc2cccc(Cl)c21
InChIInChI=1S/C12H12ClNO2/c1-2-6-14-10(12(15)16)7-8-4-3-5-9(13)11(8)14/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeySZWBHBTWYJAHSE-UHFFFAOYSA-N
XLogP3.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid
CID 43671868
2-(7-chloro-1-ethylindol-2-yl)-2-methylpropanoic acid
CID 117196983
8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 115042327
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110113
5-benzyl-4-methyl-1-propylpyrrole-2-carboxylic acid
CID 140700356
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
1-(3-chloropropyl)indole-2-carboxylic acid
CID 23510279

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-propylindole-2-carboxylic acid?
The IUPAC name of 7-chloro-1-propylindole-2-carboxylic acid (CID 83968460) is 7-chloro-1-propylindole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-1-propylindole-2-carboxylic acid?
The canonical SMILES for 7-chloro-1-propylindole-2-carboxylic acid is CCCn1c(C(=O)O)cc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-propylindole-2-carboxylic acid?
The InChIKey is SZWBHBTWYJAHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-2-6-14-10(12(15)16)7-8-4-3-5-9(13)11(8)14/h3-5,7H,2,6H2,1H3,(H,15,16).
What are the key properties of 7-chloro-1-propylindole-2-carboxylic acid?
7-chloro-1-propylindole-2-carboxylic acid has a molecular weight of 237.69 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-propylindole-2-carboxylic acid is sourced from PubChem (CID 83968460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).