2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine

C14H7BrCl2N2S2 — CID 158307894

IUPAC2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine
SMILESClc1ccc2sc(Br)cc2n1.Clc1ccc2sccc2n1
InChIInChI=1S/C7H3BrClNS.C7H4ClNS/c8-6-3-4-5(11-6)1-2-7(9)10-4;8-7-2-1-6-5(9-7)3-4-10-6/h1-3H;1-4H
InChIKeyGNHUGPAMLSUGSE-UHFFFAOYSA-N
MW418.17 g/mol
LogP6.66
Rot. Bonds

About 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine

2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine (PubChem CID 158307894) has the molecular formula C14H7BrCl2N2S2 and a molecular weight of 418.17 g/mol. Its IUPAC name is 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine
PubChem CID158307894
Molecular FormulaC14H7BrCl2N2S2
Molecular Weight418.17 g/mol
Exact Mass415.86
IUPAC Name2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine
SMILESClc1ccc2sc(Br)cc2n1.Clc1ccc2sccc2n1
InChIInChI=1S/C7H3BrClNS.C7H4ClNS/c8-6-3-4-5(11-6)1-2-7(9)10-4;8-7-2-1-6-5(9-7)3-4-10-6/h1-3H;1-4H
InChIKeyGNHUGPAMLSUGSE-UHFFFAOYSA-N
XLogP6.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.17
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-chlorothieno[3,2-b]pyridine
CID 59102842
2-bromothieno[3,2-b]pyridine
CID 13220432
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
5-bromo-1-benzothiophene
CID 2776578
7-bromo-2-chloroquinoline;2-methylpropan-2-amine
CID 135311981
N-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 79268424
5-thieno[3,2-b]pyridin-5-ylfuro[2,3-b]pyridine
CID 166340464
2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine
CID 43185912
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
2,6-dibromothieno[3,2-f][1]benzothiole
CID 91659146
2-[3-(5-chlorothieno[3,2-b]pyridin-2-yl)pyrazol-1-yl]propanoic acid
CID 166393102
2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4238642

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine?
The IUPAC name of 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine (CID 158307894) is 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine.
What is the SMILES notation for 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine?
The canonical SMILES for 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine is Clc1ccc2sc(Br)cc2n1.Clc1ccc2sccc2n1.
What is the InChIKey of 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine?
The InChIKey is GNHUGPAMLSUGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNS.C7H4ClNS/c8-6-3-4-5(11-6)1-2-7(9)10-4;8-7-2-1-6-5(9-7)3-4-10-6/h1-3H;1-4H.
What are the key properties of 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine?
2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine has a molecular weight of 418.17 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chlorothieno[3,2-b]pyridine;5-chlorothieno[3,2-b]pyridine is sourced from PubChem (CID 158307894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).