(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal

C10H7BrN2OS — CID 18450636

IUPAC(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal
SMILESNc1ncc(/C=C/C=O)c2scc(Br)c12
InChIInChI=1S/C10H7BrN2OS/c11-7-5-15-9-6(2-1-3-14)4-13-10(12)8(7)9/h1-5H,(H2,12,13)/b2-1+
InChIKeyGUKGCQBSJMONNS-OWOJBTEDSA-N
MW283.15 g/mol
LogP2.85
Rot. Bonds2

About (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal

(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal (PubChem CID 18450636) has the molecular formula C10H7BrN2OS and a molecular weight of 283.15 g/mol. Its IUPAC name is (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal
PubChem CID18450636
Molecular FormulaC10H7BrN2OS
Molecular Weight283.15 g/mol
Exact Mass281.95
IUPAC Name(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal
SMILESNc1ncc(/C=C/C=O)c2scc(Br)c12
InChIInChI=1S/C10H7BrN2OS/c11-7-5-15-9-6(2-1-3-14)4-13-10(12)8(7)9/h1-5H,(H2,12,13)/b2-1+
InChIKeyGUKGCQBSJMONNS-OWOJBTEDSA-N
XLogP2.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal?
The IUPAC name of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal (CID 18450636) is (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal?
The canonical SMILES for (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal is Nc1ncc(/C=C/C=O)c2scc(Br)c12.
What is the InChIKey of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal?
The InChIKey is GUKGCQBSJMONNS-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H7BrN2OS/c11-7-5-15-9-6(2-1-3-14)4-13-10(12)8(7)9/h1-5H,(H2,12,13)/b2-1+.
What are the key properties of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal?
(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal has a molecular weight of 283.15 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal is sourced from PubChem (CID 18450636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).