(2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one

C15H10BrClN2O — CID 15956386

IUPAC(2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(Br)n1
InChIInChI=1S/C15H10BrClN2O/c16-13-3-1-2-11(18-13)10-7-15(10)9-6-8(17)4-5-12(9)19-14(15)20/h1-6,10H,7H2,(H,19,20)/t10-,15-/m1/s1
InChIKeyZRIKCHTYPKQHDP-MEBBXXQBSA-N
MW349.62 g/mol
LogP3.87
Rot. Bonds1

About (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956386) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956386
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name(2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(Br)n1
InChIInChI=1S/C15H10BrClN2O/c16-13-3-1-2-11(18-13)10-7-15(10)9-6-8(17)4-5-12(9)19-14(15)20/h1-6,10H,7H2,(H,19,20)/t10-,15-/m1/s1
InChIKeyZRIKCHTYPKQHDP-MEBBXXQBSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S)-5'-chloro-2-(2-pyridyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956383
(1S,2S)-5'-chloro-2-(6-methyl-2-pyridyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956385
(1S,2S)-2-(5-bromo-2-pyridyl)-5'-chloro-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956387
(1S,2S)-5'-chloro-2-(6-vinyl-2-pyridyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956388
(1S,2S)-5'-chloro-2-(2-quinolyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956392
(1S,2S)-5'-chloro-2-(6-phenyl-2-pyridyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956397
(1S,2S)-5'-chloro-2-[6-(2-pyridyl)-2-pyridyl]spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956398
(1S,2S)-5'-chloro-2-(6-prop-1-ynyl-2-pyridyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956400
(1R,3S)-3-(6-bromo-2-pyridyl)-5'-chloro-2,2-dimethyl-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956401
(1R,3S)-5'-chloro-2,2-dimethyl-3-(6-vinyl-2-pyridyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956402
(1R,3S)-5'-chloro-2,2-dimethyl-3-(2-quinolyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956403
(2'S,3S)-5-chloro-2'-[6-[(E)-3-oxobut-1-enyl]-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 20847145

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956386) is (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(Br)n1.
What is the InChIKey of (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is ZRIKCHTYPKQHDP-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-13-3-1-2-11(18-13)10-7-15(10)9-6-8(17)4-5-12(9)19-14(15)20/h1-6,10H,7H2,(H,19,20)/t10-,15-/m1/s1.
What are the key properties of (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 349.62 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-2'-(6-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).