5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C13H12BrClN2S — CID 103583276

IUPAC5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C13H12BrClN2S/c1-8-10-3-5-18-12(10)2-4-17(8)13-11(15)6-9(14)7-16-13/h3,5-8H,2,4H2,1H3
InChIKeyRWTZLLKPEOBTBA-UHFFFAOYSA-N
MW343.68 g/mol
LogP4.68
Rot. Bonds1

About 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 103583276) has the molecular formula C13H12BrClN2S and a molecular weight of 343.68 g/mol. Its IUPAC name is 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID103583276
Molecular FormulaC13H12BrClN2S
Molecular Weight343.68 g/mol
Exact Mass341.96
IUPAC Name5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C13H12BrClN2S/c1-8-10-3-5-18-12(10)2-4-17(8)13-11(15)6-9(14)7-16-13/h3,5-8H,2,4H2,1H3
InChIKeyRWTZLLKPEOBTBA-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.68
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729324
5-(6-chloro-5-propylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729322
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407
5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79954007
5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 81233771
5-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-4-amine
CID 83265918
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 94015449
(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 25316000
5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 105383564
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoxalin-2-amine
CID 102985686

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 103583276) is 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1c1ncc(Br)cc1Cl.
What is the InChIKey of 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is RWTZLLKPEOBTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2S/c1-8-10-3-5-18-12(10)2-4-17(8)13-11(15)6-9(14)7-16-13/h3,5-8H,2,4H2,1H3.
What are the key properties of 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 343.68 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 103583276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).