(Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile

C16H10BrN3 — CID 6300106

IUPAC(Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1c[nH]c2ccc(Br)cc12)c1ccccn1
InChIInChI=1S/C16H10BrN3/c17-13-4-5-16-14(8-13)12(10-20-16)7-11(9-18)15-3-1-2-6-19-15/h1-8,10,20H/b11-7+
InChIKeyBROSBLVGBJDOOB-YRNVUSSQSA-N
MW324.18 g/mol
LogP4.39
Rot. Bonds2

About (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 6300106) has the molecular formula C16H10BrN3 and a molecular weight of 324.18 g/mol. Its IUPAC name is (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID6300106
Molecular FormulaC16H10BrN3
Molecular Weight324.18 g/mol
Exact Mass323.01
IUPAC Name(Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1c[nH]c2ccc(Br)cc12)c1ccccn1
InChIInChI=1S/C16H10BrN3/c17-13-4-5-16-14(8-13)12(10-20-16)7-11(9-18)15-3-1-2-6-19-15/h1-8,10,20H/b11-7+
InChIKeyBROSBLVGBJDOOB-YRNVUSSQSA-N
XLogP4.39
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile (CID 6300106) is (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1c[nH]c2ccc(Br)cc12)c1ccccn1.
What is the InChIKey of (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is BROSBLVGBJDOOB-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H10BrN3/c17-13-4-5-16-14(8-13)12(10-20-16)7-11(9-18)15-3-1-2-6-19-15/h1-8,10,20H/b11-7+.
What are the key properties of (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 324.18 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 6300106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).