(5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine

C13H11BrN2OS — CID 79169758

IUPAC(5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(Br)s3)cc2n1
InChIInChI=1S/C13H11BrN2OS/c1-7-2-3-9-8(16-7)6-10(17-9)13(15)11-4-5-12(14)18-11/h2-6,13H,15H2,1H3
InChIKeyORTVSERNCFMSBG-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.01
Rot. Bonds2

About (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine

(5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine (PubChem CID 79169758) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
PubChem CID79169758
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name(5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(Br)s3)cc2n1
InChIInChI=1S/C13H11BrN2OS/c1-7-2-3-9-8(16-7)6-10(17-9)13(15)11-4-5-12(14)18-11/h2-6,13H,15H2,1H3
InChIKeyORTVSERNCFMSBG-UHFFFAOYSA-N
XLogP4.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine (CID 79169758) is (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine is Cc1ccc2oc(C(N)c3ccc(Br)s3)cc2n1.
What is the InChIKey of (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine?
The InChIKey is ORTVSERNCFMSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c1-7-2-3-9-8(16-7)6-10(17-9)13(15)11-4-5-12(14)18-11/h2-6,13H,15H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine?
(5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine has a molecular weight of 323.22 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 79169758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).