3-chloro-5-(chloromethyl)-1H-indole;ethane

C11H13Cl2N — CID 145002050

IUPAC3-chloro-5-(chloromethyl)-1H-indole;ethane
SMILESCC.ClCc1ccc2[nH]cc(Cl)c2c1
InChIInChI=1S/C9H7Cl2N.C2H6/c10-4-6-1-2-9-7(3-6)8(11)5-12-9;1-2/h1-3,5,12H,4H2;1-2H3
InChIKeyRMNUVQNZHALOJC-UHFFFAOYSA-N
MW230.14 g/mol
LogP4.59
Rot. Bonds1

About 3-chloro-5-(chloromethyl)-1H-indole;ethane

3-chloro-5-(chloromethyl)-1H-indole;ethane (PubChem CID 145002050) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-1H-indole;ethane.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-1H-indole;ethane
PubChem CID145002050
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name3-chloro-5-(chloromethyl)-1H-indole;ethane
SMILESCC.ClCc1ccc2[nH]cc(Cl)c2c1
InChIInChI=1S/C9H7Cl2N.C2H6/c10-4-6-1-2-9-7(3-6)8(11)5-12-9;1-2/h1-3,5,12H,4H2;1-2H3
InChIKeyRMNUVQNZHALOJC-UHFFFAOYSA-N
XLogP4.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine
CID 117300860
1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one
CID 167628281
(3-chloro-1H-indol-5-yl) acetate
CID 174442875
1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine
CID 84779300
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
ethyl 2-(3-chloro-1H-indol-5-yl)-2-hydroxyacetate
CID 117387028
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
butyl 3-chloro-1H-indole-5-carboxylate
CID 174487827
3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole
CID 167255499
1-(3-chloro-1H-indol-5-yl)cyclobutan-1-amine
CID 117315065
3-chloro-5-(chloromethyl)-1-(2-methylpropyl)indole
CID 174864641
5-ethyl-1H-indole-3-sulfonyl chloride
CID 82374069

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-1H-indole;ethane?
The IUPAC name of 3-chloro-5-(chloromethyl)-1H-indole;ethane (CID 145002050) is 3-chloro-5-(chloromethyl)-1H-indole;ethane.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-1H-indole;ethane?
The canonical SMILES for 3-chloro-5-(chloromethyl)-1H-indole;ethane is CC.ClCc1ccc2[nH]cc(Cl)c2c1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-1H-indole;ethane?
The InChIKey is RMNUVQNZHALOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N.C2H6/c10-4-6-1-2-9-7(3-6)8(11)5-12-9;1-2/h1-3,5,12H,4H2;1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-1H-indole;ethane?
3-chloro-5-(chloromethyl)-1H-indole;ethane has a molecular weight of 230.14 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-1H-indole;ethane is sourced from PubChem (CID 145002050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).