3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine

C14H10BrNOS — CID 102442181

IUPAC3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine
SMILESCOc1ccc(-c2sc3ncccc3c2Br)cc1
InChIInChI=1S/C14H10BrNOS/c1-17-10-6-4-9(5-7-10)13-12(15)11-3-2-8-16-14(11)18-13/h2-8H,1H3
InChIKeyCOHYXDWDLMHZHX-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.73
Rot. Bonds2

About 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine

3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine (PubChem CID 102442181) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine
PubChem CID102442181
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine
SMILESCOc1ccc(-c2sc3ncccc3c2Br)cc1
InChIInChI=1S/C14H10BrNOS/c1-17-10-6-4-9(5-7-10)13-12(15)11-3-2-8-16-14(11)18-13/h2-8H,1H3
InChIKeyCOHYXDWDLMHZHX-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine
CID 89447556
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
4,5-bis(4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 15076241
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 139653269
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
CID 159666446
7,18-dibromo-12-(4-methoxyphenyl)-11-thia-9,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,9,12,14(19),15,17-nonaene
CID 177477395
[3-bromo-2-(4-methoxyphenyl)-1-benzothiophen-6-yl] carbamate
CID 69044939
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441
3-(4-methoxyphenyl)-1,8-naphthyridine
CID 132535083

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine?
The IUPAC name of 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine (CID 102442181) is 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine?
The canonical SMILES for 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine is COc1ccc(-c2sc3ncccc3c2Br)cc1.
What is the InChIKey of 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine?
The InChIKey is COHYXDWDLMHZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-17-10-6-4-9(5-7-10)13-12(15)11-3-2-8-16-14(11)18-13/h2-8H,1H3.
What are the key properties of 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine?
3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine has a molecular weight of 320.21 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine is sourced from PubChem (CID 102442181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).