2-bromo-5-hexoxythieno[2,3-c]pyridine

C13H16BrNOS — CID 71149222

IUPAC2-bromo-5-hexoxythieno[2,3-c]pyridine
SMILESCCCCCCOc1cc2cc(Br)sc2cn1
InChIInChI=1S/C13H16BrNOS/c1-2-3-4-5-6-16-13-8-10-7-12(14)17-11(10)9-15-13/h7-9H,2-6H2,1H3
InChIKeyLVXICYJFXKEYIT-UHFFFAOYSA-N
MW314.25 g/mol
LogP5.02
Rot. Bonds6

About 2-bromo-5-hexoxythieno[2,3-c]pyridine

2-bromo-5-hexoxythieno[2,3-c]pyridine (PubChem CID 71149222) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 2-bromo-5-hexoxythieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-bromo-5-hexoxythieno[2,3-c]pyridine
PubChem CID71149222
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name2-bromo-5-hexoxythieno[2,3-c]pyridine
SMILESCCCCCCOc1cc2cc(Br)sc2cn1
InChIInChI=1S/C13H16BrNOS/c1-2-3-4-5-6-16-13-8-10-7-12(14)17-11(10)9-15-13/h7-9H,2-6H2,1H3
InChIKeyLVXICYJFXKEYIT-UHFFFAOYSA-N
XLogP5.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.25
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-octoxypyridin-4-amine
CID 83265671
4,7-bis(5-bromothieno[3,2-b]thiophen-2-yl)-5,6-dihexoxy-2,1,3-benzothiadiazole
CID 102585362
2,5-dibromo-3,4-di(icosoxy)thiophene
CID 141270733
2-bromo-5-dodecoxythiophene
CID 151403280
3-dodecoxythieno[3,4-b]pyrazine
CID 139758024
3,7-dibromo-2,8-dioctoxydibenzothiophene
CID 59835956
7,17-dimethyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 58568463
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
3-pentoxy-1,2,5-thiadiazole
CID 67813454
2,5-dibromo-3-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]thiophene
CID 102230432
5-bromo-4-hexoxypyridin-2-amine
CID 153440558
6-heptoxy-N-methylpyrimidin-4-amine
CID 80861487

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-hexoxythieno[2,3-c]pyridine?
The IUPAC name of 2-bromo-5-hexoxythieno[2,3-c]pyridine (CID 71149222) is 2-bromo-5-hexoxythieno[2,3-c]pyridine.
What is the SMILES notation for 2-bromo-5-hexoxythieno[2,3-c]pyridine?
The canonical SMILES for 2-bromo-5-hexoxythieno[2,3-c]pyridine is CCCCCCOc1cc2cc(Br)sc2cn1.
What is the InChIKey of 2-bromo-5-hexoxythieno[2,3-c]pyridine?
The InChIKey is LVXICYJFXKEYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-2-3-4-5-6-16-13-8-10-7-12(14)17-11(10)9-15-13/h7-9H,2-6H2,1H3.
What are the key properties of 2-bromo-5-hexoxythieno[2,3-c]pyridine?
2-bromo-5-hexoxythieno[2,3-c]pyridine has a molecular weight of 314.25 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hexoxythieno[2,3-c]pyridine is sourced from PubChem (CID 71149222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).