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

C15H10BrClN2O — CID 15956387

IUPAC(2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(Br)cn1
InChIInChI=1S/C15H10BrClN2O/c16-8-1-3-12(18-7-8)11-6-15(11)10-5-9(17)2-4-13(10)19-14(15)20/h1-5,7,11H,6H2,(H,19,20)/t11-,15-/m1/s1
InChIKeyVECCXZNGEIRTRX-IAQYHMDHSA-N
MW349.62 g/mol
LogP3.87
Rot. Bonds1

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

(2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956387) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is (2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956387
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name(2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(Br)cn1
InChIInChI=1S/C15H10BrClN2O/c16-8-1-3-12(18-7-8)11-6-15(11)10-5-9(17)2-4-13(10)19-14(15)20/h1-5,7,11H,6H2,(H,19,20)/t11-,15-/m1/s1
InChIKeyVECCXZNGEIRTRX-IAQYHMDHSA-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

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956387) is (2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(Br)cn1.
What is the InChIKey of (2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is VECCXZNGEIRTRX-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-8-1-3-12(18-7-8)11-6-15(11)10-5-9(17)2-4-13(10)19-14(15)20/h1-5,7,11H,6H2,(H,19,20)/t11-,15-/m1/s1.
What are the key properties of (2'S,3S)-2'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-2'-(5-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'-(5-bromo-2-pyridinyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).