6-chloro-2,3-dihydroindole-1-carbonyl chloride

C9H7Cl2NO — CID 139548954

IUPAC6-chloro-2,3-dihydroindole-1-carbonyl chloride
SMILESO=C(Cl)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C9H7Cl2NO/c10-7-2-1-6-3-4-12(9(11)13)8(6)5-7/h1-2,5H,3-4H2
InChIKeyIDPYZZIXIBTNCV-UHFFFAOYSA-N
MW216.07 g/mol
LogP3.06
Rot. Bonds

About 6-chloro-2,3-dihydroindole-1-carbonyl chloride

6-chloro-2,3-dihydroindole-1-carbonyl chloride (PubChem CID 139548954) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 6-chloro-2,3-dihydroindole-1-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-2,3-dihydroindole-1-carbonyl chloride
PubChem CID139548954
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name6-chloro-2,3-dihydroindole-1-carbonyl chloride
SMILESO=C(Cl)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C9H7Cl2NO/c10-7-2-1-6-3-4-12(9(11)13)8(6)5-7/h1-2,5H,3-4H2
InChIKeyIDPYZZIXIBTNCV-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
3-[(6-chloro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 122018695
(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one
CID 167785269
6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 122135848
3-chloro-11-oxo-6H-benzo[b][1,4]benzothiazepine-5-carbonyl chloride
CID 15341021
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
1-(7-chloro-1-ethylidene-3,4-dihydroisoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 162540247
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydroindole-1-carbonyl chloride?
The IUPAC name of 6-chloro-2,3-dihydroindole-1-carbonyl chloride (CID 139548954) is 6-chloro-2,3-dihydroindole-1-carbonyl chloride.
What is the SMILES notation for 6-chloro-2,3-dihydroindole-1-carbonyl chloride?
The canonical SMILES for 6-chloro-2,3-dihydroindole-1-carbonyl chloride is O=C(Cl)N1CCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2,3-dihydroindole-1-carbonyl chloride?
The InChIKey is IDPYZZIXIBTNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-7-2-1-6-3-4-12(9(11)13)8(6)5-7/h1-2,5H,3-4H2.
What are the key properties of 6-chloro-2,3-dihydroindole-1-carbonyl chloride?
6-chloro-2,3-dihydroindole-1-carbonyl chloride has a molecular weight of 216.07 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydroindole-1-carbonyl chloride is sourced from PubChem (CID 139548954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).