2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid

C10H7ClFNO2 — CID 118833328

IUPAC2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(F)c(Cl)c12
InChIInChI=1S/C10H7ClFNO2/c11-10-6(12)1-2-7-9(10)5(4-13-7)3-8(14)15/h1-2,4,13H,3H2,(H,14,15)
InChIKeyABHJLBWFIQFKGN-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.59
Rot. Bonds2

About 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid

2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid (PubChem CID 118833328) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
PubChem CID118833328
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(F)c(Cl)c12
InChIInChI=1S/C10H7ClFNO2/c11-10-6(12)1-2-7-9(10)5(4-13-7)3-8(14)15/h1-2,4,13H,3H2,(H,14,15)
InChIKeyABHJLBWFIQFKGN-UHFFFAOYSA-N
XLogP2.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5-fluoro-1H-indole-3-carbonyl chloride
CID 139271421
2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
CID 174764483
1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
CID 82622105
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549
18-(5-bromo-4-chloro-1H-indol-3-yl)octadecanoic acid
CID 150939614
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid
CID 118827528
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(3-amino-2-chloro-4-fluorophenyl)acetic acid
CID 171033959
2-(4-benzoyloxy-1H-indol-3-yl)acetic acid
CID 14185779
2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid
CID 118835567

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid (CID 118833328) is 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid is O=C(O)Cc1c[nH]c2ccc(F)c(Cl)c12.
What is the InChIKey of 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid?
The InChIKey is ABHJLBWFIQFKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c11-10-6(12)1-2-7-9(10)5(4-13-7)3-8(14)15/h1-2,4,13H,3H2,(H,14,15).
What are the key properties of 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid?
2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid has a molecular weight of 227.62 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 118833328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).