(4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

C17H12BrClF4N2 — CID 166499830

IUPAC(4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(Cl)C2=N1
InChIInChI=1S/C17H12BrClF4N2/c18-12-4-3-11-10(14(12)20)2-1-5-16(11)8-25-7-9(17(21,22)23)6-13(19)15(25)24-16/h3-4,6-7H,1-2,5,8H2/t16-/m1/s1
InChIKeyHWHPQMSTUOPAHN-MRXNPFEDSA-N
MW435.65 g/mol
LogP5.42
Rot. Bonds

About (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

(4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499830) has the molecular formula C17H12BrClF4N2 and a molecular weight of 435.65 g/mol. Its IUPAC name is (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499830
Molecular FormulaC17H12BrClF4N2
Molecular Weight435.65 g/mol
Exact Mass433.98
IUPAC Name(4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(Cl)C2=N1
InChIInChI=1S/C17H12BrClF4N2/c18-12-4-3-11-10(14(12)20)2-1-5-16(11)8-25-7-9(17(21,22)23)6-13(19)15(25)24-16/h3-4,6-7H,1-2,5,8H2/t16-/m1/s1
InChIKeyHWHPQMSTUOPAHN-MRXNPFEDSA-N
XLogP5.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.65
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] with MolForge

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Related Compounds

8-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499852
6-bromo-4-chloro-8'-(difluoromethoxy)-5-fluoro-4-iodo-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]
CID 176697408
(5S)-8'-(difluoromethoxy)-9-fluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]
CID 166499582
(4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499626
(3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 174231636
1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]
CID 176697409
(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one
CID 163779175
(2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene]
CID 166817316
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
5-bromo-1-butanimidoyl-4-fluoro-2,3-dihydroinden-1-ol
CID 166775766
5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene
CID 131027555
3-(4-bromo-3-chloro-2-fluorophenyl)-1-methylpiperidin-3-ol
CID 106761485

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499830) is (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(Br)ccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(Cl)C2=N1.
What is the InChIKey of (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is HWHPQMSTUOPAHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12BrClF4N2/c18-12-4-3-11-10(14(12)20)2-1-5-16(11)8-25-7-9(17(21,22)23)6-13(19)15(25)24-16/h3-4,6-7H,1-2,5,8H2/t16-/m1/s1.
What are the key properties of (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 435.65 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).