6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole

C15H12ClIN2S2 — CID 143028445

IUPAC6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole
SMILESCc1cc2cc(I)sc2[nH]1.Cc1cc2ccc(Cl)nc2s1
InChIInChI=1S/C8H6ClNS.C7H6INS/c1-5-4-6-2-3-7(9)10-8(6)11-5;1-4-2-5-3-6(8)10-7(5)9-4/h2-4H,1H3;2-3,9H,1H3
InChIKeyAZRBCWCUOUNDQM-UHFFFAOYSA-N
MW446.77 g/mol
LogP6.40
Rot. Bonds

About 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole

6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole (PubChem CID 143028445) has the molecular formula C15H12ClIN2S2 and a molecular weight of 446.77 g/mol. Its IUPAC name is 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole
PubChem CID143028445
Molecular FormulaC15H12ClIN2S2
Molecular Weight446.77 g/mol
Exact Mass445.92
IUPAC Name6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole
SMILESCc1cc2cc(I)sc2[nH]1.Cc1cc2ccc(Cl)nc2s1
InChIInChI=1S/C8H6ClNS.C7H6INS/c1-5-4-6-2-3-7(9)10-8(6)11-5;1-4-2-5-3-6(8)10-7(5)9-4/h2-4H,1H3;2-3,9H,1H3
InChIKeyAZRBCWCUOUNDQM-UHFFFAOYSA-N
XLogP6.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.77
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole with MolForge

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Related Compounds

2,5-dimethyl-6H-thieno[2,3-b]pyrrole;ethane
CID 170950785
6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
CID 177202395
3-chloro-6-methylthieno[2,3-b]pyrazine
CID 118261920
2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole
CID 70937598
4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine
CID 115528625
5-chloro-2-methyl-1-benzothiophene
CID 2747689
N,N,3-trimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine
CID 170747520
2-tert-butyl-5-chlorothieno[3,2-b]pyridine
CID 59102842
1-chloro-4-methylbenzene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158872626
2-methyl-7-propan-2-yl-1H-pyrrolo[2,3-f]quinoline
CID 70937650
6-chloro-2-[(4E,6Z)-octa-4,6-dien-4-yl]thieno[2,3-b]pyridine
CID 167073682
6-bromo-5-chloro-2-methyl-1-benzothiophene
CID 130970547

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole?
The IUPAC name of 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole (CID 143028445) is 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole is Cc1cc2cc(I)sc2[nH]1.Cc1cc2ccc(Cl)nc2s1.
What is the InChIKey of 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole?
The InChIKey is AZRBCWCUOUNDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS.C7H6INS/c1-5-4-6-2-3-7(9)10-8(6)11-5;1-4-2-5-3-6(8)10-7(5)9-4/h2-4H,1H3;2-3,9H,1H3.
What are the key properties of 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole?
6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole has a molecular weight of 446.77 g/mol, XLogP of 6.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylthieno[2,3-b]pyridine;2-iodo-5-methyl-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 143028445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).