(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]

C16H11BrClF3N2O2 — CID 163571355

IUPAC(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1OCC[C@@]21CN2C=C(Cl)C=C(OC(F)F)C2=N1
InChIInChI=1S/C16H11BrClF3N2O2/c17-10-2-1-9-13(12(10)19)24-4-3-16(9)7-23-6-8(18)5-11(14(23)22-16)25-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
InChIKeyFZPITGVEEWILRL-MRXNPFEDSA-N
MW435.63 g/mol
LogP4.50
Rot. Bonds2

About (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]

(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 163571355) has the molecular formula C16H11BrClF3N2O2 and a molecular weight of 435.63 g/mol. Its IUPAC name is (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID163571355
Molecular FormulaC16H11BrClF3N2O2
Molecular Weight435.63 g/mol
Exact Mass433.96
IUPAC Name(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1OCC[C@@]21CN2C=C(Cl)C=C(OC(F)F)C2=N1
InChIInChI=1S/C16H11BrClF3N2O2/c17-10-2-1-9-13(12(10)19)24-4-3-16(9)7-23-6-8(18)5-11(14(23)22-16)25-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
InChIKeyFZPITGVEEWILRL-MRXNPFEDSA-N
XLogP4.50
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 163571355) is (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(Br)ccc2c1OCC[C@@]21CN2C=C(Cl)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is FZPITGVEEWILRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H11BrClF3N2O2/c17-10-2-1-9-13(12(10)19)24-4-3-16(9)7-23-6-8(18)5-11(14(23)22-16)25-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1.
What are the key properties of (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 435.63 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 163571355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).