(3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate

C9H7BrN2O3S — CID 129314070

IUPAC(3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate
SMILESCOc1cnc2c(Br)c(OC(N)=O)sc2c1
InChIInChI=1S/C9H7BrN2O3S/c1-14-4-2-5-7(12-3-4)6(10)8(16-5)15-9(11)13/h2-3H,1H3,(H2,11,13)
InChIKeyPUNSYICZBSKSPI-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.52
Rot. Bonds2

About (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate

(3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate (PubChem CID 129314070) has the molecular formula C9H7BrN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate.

Molecular Properties

Compound Name(3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate
PubChem CID129314070
Molecular FormulaC9H7BrN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.94
IUPAC Name(3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate
SMILESCOc1cnc2c(Br)c(OC(N)=O)sc2c1
InChIInChI=1S/C9H7BrN2O3S/c1-14-4-2-5-7(12-3-4)6(10)8(16-5)15-9(11)13/h2-3H,1H3,(H2,11,13)
InChIKeyPUNSYICZBSKSPI-UHFFFAOYSA-N
XLogP2.52
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-bromo-2-(4-methoxyphenyl)-1-benzothiophen-6-yl] carbamate
CID 69044939
2-(4-bromo-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 178049407
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
CID 131858263
(8-bromoquinolin-3-yl) carbamate
CID 175146907
3-methoxythieno[3,4-b]pyridine-5,7-diamine
CID 163198649
methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate
CID 67965474
methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098119
3,8-dimethoxy-1,10-phenanthroline
CID 11390810
1,3,5-trimethoxybenzene;urea
CID 174919725
methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906649
3-ethynyl-5-methoxypyridine-2-carboxamide
CID 163239111
8-bromo-3-methoxy-1,7-naphthyridine
CID 118568271

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate?
The IUPAC name of (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate (CID 129314070) is (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate.
What is the SMILES notation for (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate?
The canonical SMILES for (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate is COc1cnc2c(Br)c(OC(N)=O)sc2c1.
What is the InChIKey of (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate?
The InChIKey is PUNSYICZBSKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S/c1-14-4-2-5-7(12-3-4)6(10)8(16-5)15-9(11)13/h2-3H,1H3,(H2,11,13).
What are the key properties of (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate?
(3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate has a molecular weight of 303.14 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6-methoxythieno[3,2-b]pyridin-2-yl) carbamate is sourced from PubChem (CID 129314070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).