3-bromo-6-chlorothieno[2,3-b]pyridine

C7H3BrClNS — CID 130048402

IUPAC3-bromo-6-chlorothieno[2,3-b]pyridine
SMILESClc1ccc2c(Br)csc2n1
InChIInChI=1S/C7H3BrClNS/c8-5-3-11-7-4(5)1-2-6(9)10-7/h1-3H
InChIKeyIQZAGLBMPKIIAG-UHFFFAOYSA-N
MW248.53 g/mol
LogP3.71
Rot. Bonds

About 3-bromo-6-chlorothieno[2,3-b]pyridine

3-bromo-6-chlorothieno[2,3-b]pyridine (PubChem CID 130048402) has the molecular formula C7H3BrClNS and a molecular weight of 248.53 g/mol. Its IUPAC name is 3-bromo-6-chlorothieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-6-chlorothieno[2,3-b]pyridine
PubChem CID130048402
Molecular FormulaC7H3BrClNS
Molecular Weight248.53 g/mol
Exact Mass246.89
IUPAC Name3-bromo-6-chlorothieno[2,3-b]pyridine
SMILESClc1ccc2c(Br)csc2n1
InChIInChI=1S/C7H3BrClNS/c8-5-3-11-7-4(5)1-2-6(9)10-7/h1-3H
InChIKeyIQZAGLBMPKIIAG-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-6-chlorothieno[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride
CID 164908394
3-bromo-6-chloro-2-methylpyridine
CID 14866674
tert-butyl N-(6-chlorothieno[2,3-b]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 172542592
7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine
CID 168966810
8-bromo-2-chloro-5-iodoquinoline
CID 130499521
(6-chloro-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol
CID 86611704
3-bromo-6-chloropyridine-2-carbaldehyde
CID 71721004
(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol
CID 130792540
2-bromo-5-methylthieno[2,3-d]pyrimidine
CID 87308839
5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
N-(2-bromo-5-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83155520
2,5-dichloroquinoline
CID 676552

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chlorothieno[2,3-b]pyridine?
The IUPAC name of 3-bromo-6-chlorothieno[2,3-b]pyridine (CID 130048402) is 3-bromo-6-chlorothieno[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-6-chlorothieno[2,3-b]pyridine?
The canonical SMILES for 3-bromo-6-chlorothieno[2,3-b]pyridine is Clc1ccc2c(Br)csc2n1.
What is the InChIKey of 3-bromo-6-chlorothieno[2,3-b]pyridine?
The InChIKey is IQZAGLBMPKIIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNS/c8-5-3-11-7-4(5)1-2-6(9)10-7/h1-3H.
What are the key properties of 3-bromo-6-chlorothieno[2,3-b]pyridine?
3-bromo-6-chlorothieno[2,3-b]pyridine has a molecular weight of 248.53 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chlorothieno[2,3-b]pyridine is sourced from PubChem (CID 130048402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).