acetic acid;5,7-dichloro-1H-indole

C10H9Cl2NO2 — CID 162328874

IUPACacetic acid;5,7-dichloro-1H-indole
SMILESCC(=O)O.Clc1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C8H5Cl2N.C2H4O2/c9-6-3-5-1-2-11-8(5)7(10)4-6;1-2(3)4/h1-4,11H;1H3,(H,3,4)
InChIKeyCGYZMUROPCRENZ-UHFFFAOYSA-N
MW246.09 g/mol
LogP3.57
Rot. Bonds

About acetic acid;5,7-dichloro-1H-indole

acetic acid;5,7-dichloro-1H-indole (PubChem CID 162328874) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is acetic acid;5,7-dichloro-1H-indole.

Molecular Properties

Compound Nameacetic acid;5,7-dichloro-1H-indole
PubChem CID162328874
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Nameacetic acid;5,7-dichloro-1H-indole
SMILESCC(=O)O.Clc1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C8H5Cl2N.C2H4O2/c9-6-3-5-1-2-11-8(5)7(10)4-6;1-2(3)4/h1-4,11H;1H3,(H,3,4)
InChIKeyCGYZMUROPCRENZ-UHFFFAOYSA-N
XLogP3.57
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-7-ethyl-1H-indole
CID 146537999
2-(7-chloro-1H-indol-5-yl)acetaldehyde
CID 83878658
2-amino-2-(7-chloro-1H-indol-5-yl)ethanol
CID 83885288
2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid
CID 174763150
(5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone
CID 19013302
1-(7-bromo-1H-indol-5-yl)ethanone
CID 59626146
7-methoxy-1H-indole-5-carboxylic acid
CID 15247554
acetic acid;1H-indole
CID 67663544
acetic acid;bis(1H-indole)
CID 162014067
5-chloro-N-(3-methylbutyl)-1H-indol-7-amine
CID 141444364
(Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile
CID 59831763
7-fluoro-1H-indole-5-carboxylic acid
CID 11564558

Frequently Asked Questions

What is the IUPAC name of acetic acid;5,7-dichloro-1H-indole?
The IUPAC name of acetic acid;5,7-dichloro-1H-indole (CID 162328874) is acetic acid;5,7-dichloro-1H-indole.
What is the SMILES notation for acetic acid;5,7-dichloro-1H-indole?
The canonical SMILES for acetic acid;5,7-dichloro-1H-indole is CC(=O)O.Clc1cc(Cl)c2[nH]ccc2c1.
What is the InChIKey of acetic acid;5,7-dichloro-1H-indole?
The InChIKey is CGYZMUROPCRENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N.C2H4O2/c9-6-3-5-1-2-11-8(5)7(10)4-6;1-2(3)4/h1-4,11H;1H3,(H,3,4).
What are the key properties of acetic acid;5,7-dichloro-1H-indole?
acetic acid;5,7-dichloro-1H-indole has a molecular weight of 246.09 g/mol, XLogP of 3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5,7-dichloro-1H-indole is sourced from PubChem (CID 162328874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).