3,6-dichloro-4-methyl-1H-indole

C9H7Cl2N — CID 151460681

IUPAC3,6-dichloro-4-methyl-1H-indole
SMILESCc1cc(Cl)cc2[nH]cc(Cl)c12
InChIInChI=1S/C9H7Cl2N/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-4,12H,1H3
InChIKeyPIJPPURIRYRFML-UHFFFAOYSA-N
MW200.07 g/mol
LogP3.78
Rot. Bonds

About 3,6-dichloro-4-methyl-1H-indole

3,6-dichloro-4-methyl-1H-indole (PubChem CID 151460681) has the molecular formula C9H7Cl2N and a molecular weight of 200.07 g/mol. Its IUPAC name is 3,6-dichloro-4-methyl-1H-indole.

Molecular Properties

Compound Name3,6-dichloro-4-methyl-1H-indole
PubChem CID151460681
Molecular FormulaC9H7Cl2N
Molecular Weight200.07 g/mol
Exact Mass199.00
IUPAC Name3,6-dichloro-4-methyl-1H-indole
SMILESCc1cc(Cl)cc2[nH]cc(Cl)c12
InChIInChI=1S/C9H7Cl2N/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-4,12H,1H3
InChIKeyPIJPPURIRYRFML-UHFFFAOYSA-N
XLogP3.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-chloro-5-methyl-4-propan-2-yl-1H-indole
CID 164840063
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427940
2-(4,6-dichloro-1H-indol-3-yl)ethanol
CID 21099158
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797
(6-chloro-3-iodo-1H-indol-4-yl)carbamic acid
CID 170428096
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
5-chloro-6-fluoro-3-methyl-1H-indole
CID 118084325
3-chloro-4-iodo-7-methyl-1H-indole
CID 130052075
4-bromo-6-chloro-1H-indole-3-carboxylic acid
CID 118644730
5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one
CID 133092874

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-methyl-1H-indole?
The IUPAC name of 3,6-dichloro-4-methyl-1H-indole (CID 151460681) is 3,6-dichloro-4-methyl-1H-indole.
What is the SMILES notation for 3,6-dichloro-4-methyl-1H-indole?
The canonical SMILES for 3,6-dichloro-4-methyl-1H-indole is Cc1cc(Cl)cc2[nH]cc(Cl)c12.
What is the InChIKey of 3,6-dichloro-4-methyl-1H-indole?
The InChIKey is PIJPPURIRYRFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-4,12H,1H3.
What are the key properties of 3,6-dichloro-4-methyl-1H-indole?
3,6-dichloro-4-methyl-1H-indole has a molecular weight of 200.07 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-methyl-1H-indole is sourced from PubChem (CID 151460681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).