3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine

C18H12Br2N2S2 — CID 126765608

IUPAC3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine
SMILESBrc1cnccc1Cc1cc2sc(Cc3ccncc3Br)cc2s1
InChIInChI=1S/C18H12Br2N2S2/c19-15-9-21-3-1-11(15)5-13-7-17-18(23-13)8-14(24-17)6-12-2-4-22-10-16(12)20/h1-4,7-10H,5-6H2
InChIKeyAGZMVKBBTLBMNT-UHFFFAOYSA-N
MW480.25 g/mol
LogP6.46
Rot. Bonds4

About 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine

3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine (PubChem CID 126765608) has the molecular formula C18H12Br2N2S2 and a molecular weight of 480.25 g/mol. Its IUPAC name is 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine.

Molecular Properties

Compound Name3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine
PubChem CID126765608
Molecular FormulaC18H12Br2N2S2
Molecular Weight480.25 g/mol
Exact Mass477.88
IUPAC Name3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine
SMILESBrc1cnccc1Cc1cc2sc(Cc3ccncc3Br)cc2s1
InChIInChI=1S/C18H12Br2N2S2/c19-15-9-21-3-1-11(15)5-13-7-17-18(23-13)8-14(24-17)6-12-2-4-22-10-16(12)20/h1-4,7-10H,5-6H2
InChIKeyAGZMVKBBTLBMNT-UHFFFAOYSA-N
XLogP6.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.25
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine with MolForge

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Related Compounds

(3-bromo-4-pyridinyl)methanamine;dihydrochloride
CID 119081459
3-bromo-4-ethylpyridine
CID 13160533
2-[(3-bromo-4-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 141188016
N-methyl-1-thieno[3,2-c]pyridin-2-ylmethanamine
CID 45117642
2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride
CID 170893389
1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide
CID 165445527
2-ethylthieno[3,2-c]pyridine
CID 70413721
3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine
CID 163375706
5-bromo-1-[(3-bromo-4-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 165480186
1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 84792529
4-[(5-bromo-1-benzothiophen-2-yl)methyl]-1H-pyrazole-5-carbaldehyde
CID 129228275
[2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethyl]hydrazine
CID 105314841

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine?
The IUPAC name of 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine (CID 126765608) is 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine.
What is the SMILES notation for 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine?
The canonical SMILES for 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine is Brc1cnccc1Cc1cc2sc(Cc3ccncc3Br)cc2s1.
What is the InChIKey of 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine?
The InChIKey is AGZMVKBBTLBMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N2S2/c19-15-9-21-3-1-11(15)5-13-7-17-18(23-13)8-14(24-17)6-12-2-4-22-10-16(12)20/h1-4,7-10H,5-6H2.
What are the key properties of 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine?
3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine has a molecular weight of 480.25 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[5-[(3-bromo-4-pyridinyl)methyl]thieno[3,2-b]thiophen-2-yl]methyl]pyridine is sourced from PubChem (CID 126765608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).