4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C10H4BrClFN3S — CID 163303313

IUPAC4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESFc1c(Cl)cnc2[nH]cc(-c3nc(Br)cs3)c12
InChIInChI=1S/C10H4BrClFN3S/c11-6-3-17-10(16-6)4-1-14-9-7(4)8(13)5(12)2-15-9/h1-3H,(H,14,15)
InChIKeyMBHPCOOVGABKHL-UHFFFAOYSA-N
MW332.59 g/mol
LogP4.24
Rot. Bonds1

About 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 163303313) has the molecular formula C10H4BrClFN3S and a molecular weight of 332.59 g/mol. Its IUPAC name is 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID163303313
Molecular FormulaC10H4BrClFN3S
Molecular Weight332.59 g/mol
Exact Mass330.90
IUPAC Name4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESFc1c(Cl)cnc2[nH]cc(-c3nc(Br)cs3)c12
InChIInChI=1S/C10H4BrClFN3S/c11-6-3-17-10(16-6)4-1-14-9-7(4)8(13)5(12)2-15-9/h1-3H,(H,14,15)
InChIKeyMBHPCOOVGABKHL-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole with MolForge

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Related Compounds

3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine
CID 122173361
4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole
CID 104739144
3-bromo-4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 166595407
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine
CID 83078829
3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
CID 53412635
5-(4-bromophenyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
CID 139222824
4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole
CID 158109442
(3-amino-6-chloro-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68751735
4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole
CID 116688950
2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine
CID 123957732
4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 146567972
4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
CID 116892245

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 163303313) is 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Fc1c(Cl)cnc2[nH]cc(-c3nc(Br)cs3)c12.
What is the InChIKey of 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is MBHPCOOVGABKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClFN3S/c11-6-3-17-10(16-6)4-1-14-9-7(4)8(13)5(12)2-15-9/h1-3H,(H,14,15).
What are the key properties of 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 332.59 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 163303313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).