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

C10H6BrN3S — CID 18450639

IUPAC(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile
SMILESN#C/C=C/c1cnc(N)c2c(Br)csc12
InChIInChI=1S/C10H6BrN3S/c11-7-5-15-9-6(2-1-3-12)4-14-10(13)8(7)9/h1-2,4-5H,(H2,13,14)/b2-1+
InChIKeyGAOWXGZRLDHDLJ-OWOJBTEDSA-N
MW280.15 g/mol
LogP3.18
Rot. Bonds1

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

(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile (PubChem CID 18450639) has the molecular formula C10H6BrN3S and a molecular weight of 280.15 g/mol. Its IUPAC name is (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile
PubChem CID18450639
Molecular FormulaC10H6BrN3S
Molecular Weight280.15 g/mol
Exact Mass278.95
IUPAC Name(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile
SMILESN#C/C=C/c1cnc(N)c2c(Br)csc12
InChIInChI=1S/C10H6BrN3S/c11-7-5-15-9-6(2-1-3-12)4-14-10(13)8(7)9/h1-2,4-5H,(H2,13,14)/b2-1+
InChIKeyGAOWXGZRLDHDLJ-OWOJBTEDSA-N
XLogP3.18
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', '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-enenitrile?
The IUPAC name of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile (CID 18450639) is (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile is N#C/C=C/c1cnc(N)c2c(Br)csc12.
What is the InChIKey of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile?
The InChIKey is GAOWXGZRLDHDLJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H6BrN3S/c11-7-5-15-9-6(2-1-3-12)4-14-10(13)8(7)9/h1-2,4-5H,(H2,13,14)/b2-1+.
What are the key properties of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile?
(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enenitrile has a molecular weight of 280.15 g/mol, XLogP of 3.18, 1 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-enenitrile is sourced from PubChem (CID 18450639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).