2-chloro-5-fluoro-1-propylindole-3-carboxylic acid

C12H11ClFNO2 — CID 82268779

IUPAC2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
SMILESCCCn1c(Cl)c(C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C12H11ClFNO2/c1-2-5-15-9-4-3-7(14)6-8(9)10(11(15)13)12(16)17/h3-4,6H,2,5H2,1H3,(H,16,17)
InChIKeyCOLIODOTEUKNFL-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.54
Rot. Bonds3

About 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid

2-chloro-5-fluoro-1-propylindole-3-carboxylic acid (PubChem CID 82268779) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
PubChem CID82268779
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
SMILESCCCn1c(Cl)c(C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C12H11ClFNO2/c1-2-5-15-9-4-3-7(14)6-8(9)10(11(15)13)12(16)17/h3-4,6H,2,5H2,1H3,(H,16,17)
InChIKeyCOLIODOTEUKNFL-UHFFFAOYSA-N
XLogP3.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-chloro-5-fluoroindole-3-carboxylic acid
CID 82268795
2-chloro-5-fluoro-1-(2-methylpropyl)indole-3-carboxylic acid
CID 82268787
7-fluoro-1-oxo-2-propylisoquinoline-3-carboxylic acid
CID 172904081
1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
CID 82268767
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82248619
2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid
CID 151755048
2-chloro-1-ethyl-5-fluoro-3-methylindole
CID 117127777
1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindole-2-carboxylic acid
CID 19914749
(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate
CID 67803265
2-chloro-5-fluoro-1-(2-methoxyethyl)indole-3-carbaldehyde
CID 82268802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid?
The IUPAC name of 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid (CID 82268779) is 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid is CCCn1c(Cl)c(C(=O)O)c2cc(F)ccc21.
What is the InChIKey of 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid?
The InChIKey is COLIODOTEUKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c1-2-5-15-9-4-3-7(14)6-8(9)10(11(15)13)12(16)17/h3-4,6H,2,5H2,1H3,(H,16,17).
What are the key properties of 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid?
2-chloro-5-fluoro-1-propylindole-3-carboxylic acid has a molecular weight of 255.68 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-1-propylindole-3-carboxylic acid is sourced from PubChem (CID 82268779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).