(3-bromothieno[3,2-b]pyridin-2-yl)methanamine

C8H7BrN2S — CID 82622236

IUPAC(3-bromothieno[3,2-b]pyridin-2-yl)methanamine
SMILESNCc1sc2cccnc2c1Br
InChIInChI=1S/C8H7BrN2S/c9-7-6(4-10)12-5-2-1-3-11-8(5)7/h1-3H,4,10H2
InChIKeyQMIKZVYHRBOFLR-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.52
Rot. Bonds1

About (3-bromothieno[3,2-b]pyridin-2-yl)methanamine

(3-bromothieno[3,2-b]pyridin-2-yl)methanamine (PubChem CID 82622236) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is (3-bromothieno[3,2-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromothieno[3,2-b]pyridin-2-yl)methanamine
PubChem CID82622236
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name(3-bromothieno[3,2-b]pyridin-2-yl)methanamine
SMILESNCc1sc2cccnc2c1Br
InChIInChI=1S/C8H7BrN2S/c9-7-6(4-10)12-5-2-1-3-11-8(5)7/h1-3H,4,10H2
InChIKeyQMIKZVYHRBOFLR-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromothieno[3,2-b]pyridin-2-yl)methanamine?
The IUPAC name of (3-bromothieno[3,2-b]pyridin-2-yl)methanamine (CID 82622236) is (3-bromothieno[3,2-b]pyridin-2-yl)methanamine.
What is the SMILES notation for (3-bromothieno[3,2-b]pyridin-2-yl)methanamine?
The canonical SMILES for (3-bromothieno[3,2-b]pyridin-2-yl)methanamine is NCc1sc2cccnc2c1Br.
What is the InChIKey of (3-bromothieno[3,2-b]pyridin-2-yl)methanamine?
The InChIKey is QMIKZVYHRBOFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c9-7-6(4-10)12-5-2-1-3-11-8(5)7/h1-3H,4,10H2.
What are the key properties of (3-bromothieno[3,2-b]pyridin-2-yl)methanamine?
(3-bromothieno[3,2-b]pyridin-2-yl)methanamine has a molecular weight of 243.13 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothieno[3,2-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 82622236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).