2-iodo-5-propan-2-ylthieno[2,3-b]pyridine

C10H10INS — CID 177170103

IUPAC2-iodo-5-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1cnc2sc(I)cc2c1
InChIInChI=1S/C10H10INS/c1-6(2)8-3-7-4-9(11)13-10(7)12-5-8/h3-6H,1-2H3
InChIKeyDTNDMXGSPFVPGH-UHFFFAOYSA-N
MW303.17 g/mol
LogP4.02
Rot. Bonds1

About 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine

2-iodo-5-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 177170103) has the molecular formula C10H10INS and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-iodo-5-propan-2-ylthieno[2,3-b]pyridine
PubChem CID177170103
Molecular FormulaC10H10INS
Molecular Weight303.17 g/mol
Exact Mass302.96
IUPAC Name2-iodo-5-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1cnc2sc(I)cc2c1
InChIInChI=1S/C10H10INS/c1-6(2)8-3-7-4-9(11)13-10(7)12-5-8/h3-6H,1-2H3
InChIKeyDTNDMXGSPFVPGH-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-di(propan-2-yl)-1,8-naphthyridine
CID 166719717
2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 59820187
2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine
CID 139355626
5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine
CID 170184963
6,8-dimethyl-3-propan-2-ylquinoline
CID 82112330
6-chloro-7-methoxy-3-propan-2-ylquinoline
CID 154591513
6-propan-2-yl-1,8-naphthyridin-2-amine
CID 155176084
7-fluoro-3-propan-2-ylquinoline
CID 118097497
6-fluoro-3-propan-2-ylquinoline
CID 90132820
3-propan-2-ylquinolin-8-amine
CID 170777119
7,8-difluoro-3-propan-2-ylquinoline
CID 168882990
ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 159093482

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine (CID 177170103) is 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine is CC(C)c1cnc2sc(I)cc2c1.
What is the InChIKey of 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is DTNDMXGSPFVPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INS/c1-6(2)8-3-7-4-9(11)13-10(7)12-5-8/h3-6H,1-2H3.
What are the key properties of 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine?
2-iodo-5-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 303.17 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 177170103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).