1,2-dichloro-2,3-dihydroindole

C8H7Cl2N — CID 88619979

IUPAC1,2-dichloro-2,3-dihydroindole
SMILESClC1Cc2ccccc2N1Cl
InChIInChI=1S/C8H7Cl2N/c9-8-5-6-3-1-2-4-7(6)11(8)10/h1-4,8H,5H2
InChIKeyOPRSHKBYAUSZII-UHFFFAOYSA-N
MW188.06 g/mol
LogP2.77
Rot. Bonds

About 1,2-dichloro-2,3-dihydroindole

1,2-dichloro-2,3-dihydroindole (PubChem CID 88619979) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is 1,2-dichloro-2,3-dihydroindole.

Molecular Properties

Compound Name1,2-dichloro-2,3-dihydroindole
PubChem CID88619979
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name1,2-dichloro-2,3-dihydroindole
SMILESClC1Cc2ccccc2N1Cl
InChIInChI=1S/C8H7Cl2N/c9-8-5-6-3-1-2-4-7(6)11(8)10/h1-4,8H,5H2
InChIKeyOPRSHKBYAUSZII-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate
CID 54269267
3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
CID 13220468
(2R)-1-iodo-2-methyl-2,3-dihydroindole
CID 142057461
(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde
CID 141029511
2-iodo-1-methyl-2,3-dihydroindole
CID 143057864
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
1-chloro-4H-quinoline
CID 87098649
1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole
CID 91019399
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 56971695

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-2,3-dihydroindole?
The IUPAC name of 1,2-dichloro-2,3-dihydroindole (CID 88619979) is 1,2-dichloro-2,3-dihydroindole.
What is the SMILES notation for 1,2-dichloro-2,3-dihydroindole?
The canonical SMILES for 1,2-dichloro-2,3-dihydroindole is ClC1Cc2ccccc2N1Cl.
What is the InChIKey of 1,2-dichloro-2,3-dihydroindole?
The InChIKey is OPRSHKBYAUSZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N/c9-8-5-6-3-1-2-4-7(6)11(8)10/h1-4,8H,5H2.
What are the key properties of 1,2-dichloro-2,3-dihydroindole?
1,2-dichloro-2,3-dihydroindole has a molecular weight of 188.06 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-2,3-dihydroindole is sourced from PubChem (CID 88619979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).