4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine

C11H9BrN2S — CID 130572496

IUPAC4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine
SMILESCC#CCNc1ncc(Br)c2ccsc12
InChIInChI=1S/C11H9BrN2S/c1-2-3-5-13-11-10-8(4-6-15-10)9(12)7-14-11/h4,6-7H,5H2,1H3,(H,13,14)
InChIKeyRDMQNIVFIQMRBW-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.49
Rot. Bonds2

About 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine

4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine (PubChem CID 130572496) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine
PubChem CID130572496
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine
SMILESCC#CCNc1ncc(Br)c2ccsc12
InChIInChI=1S/C11H9BrN2S/c1-2-3-5-13-11-10-8(4-6-15-10)9(12)7-14-11/h4,6-7H,5H2,1H3,(H,13,14)
InChIKeyRDMQNIVFIQMRBW-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine
CID 130572518
7-bromo-4-iodothieno[3,2-c]pyridine
CID 118857267
4-bromo-7-(oxetan-3-yloxy)thieno[2,3-c]pyridine
CID 130572573
3-N-but-2-ynylpyrazine-2,3-diamine
CID 102987241
4-bromo-6-ethoxy-7-methyl-1-benzothiophene
CID 130866038
4-bromothieno[2,3-c]pyridine
CID 18516346
4-bromo-7-fluoro-1-benzothiophene
CID 22474138
(2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol
CID 126829718
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
methyl 5-amino-2-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carboxylate
CID 114047294
4-N-(3-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329001
5-bromo-3-methyl-N-(3-methylthiophen-2-yl)pyridin-2-amine
CID 115148473

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine?
The IUPAC name of 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine (CID 130572496) is 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine.
What is the SMILES notation for 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine?
The canonical SMILES for 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine is CC#CCNc1ncc(Br)c2ccsc12.
What is the InChIKey of 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine?
The InChIKey is RDMQNIVFIQMRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c1-2-3-5-13-11-10-8(4-6-15-10)9(12)7-14-11/h4,6-7H,5H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine?
4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine has a molecular weight of 281.18 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-but-2-ynylthieno[2,3-c]pyridin-7-amine is sourced from PubChem (CID 130572496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).