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

C8H7ClN2S — CID 168844356

IUPAC(7-chlorothieno[3,2-b]pyridin-2-yl)methanamine
SMILESNCc1cc2nccc(Cl)c2s1
InChIInChI=1S/C8H7ClN2S/c9-6-1-2-11-7-3-5(4-10)12-8(6)7/h1-3H,4,10H2
InChIKeyFWYQPZRFGYPFFO-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.41
Rot. Bonds1

About (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine

(7-chlorothieno[3,2-b]pyridin-2-yl)methanamine (PubChem CID 168844356) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(7-chlorothieno[3,2-b]pyridin-2-yl)methanamine
PubChem CID168844356
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name(7-chlorothieno[3,2-b]pyridin-2-yl)methanamine
SMILESNCc1cc2nccc(Cl)c2s1
InChIInChI=1S/C8H7ClN2S/c9-6-1-2-11-7-3-5(4-10)12-8(6)7/h1-3H,4,10H2
InChIKeyFWYQPZRFGYPFFO-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine?
The IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine (CID 168844356) is (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine.
What is the SMILES notation for (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine?
The canonical SMILES for (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine is NCc1cc2nccc(Cl)c2s1.
What is the InChIKey of (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine?
The InChIKey is FWYQPZRFGYPFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c9-6-1-2-11-7-3-5(4-10)12-8(6)7/h1-3H,4,10H2.
What are the key properties of (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine?
(7-chlorothieno[3,2-b]pyridin-2-yl)methanamine has a molecular weight of 198.68 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chlorothieno[3,2-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 168844356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).