(E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine

C17H14BrN3 — CID 88936493

IUPAC(E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine
SMILESC=C(/C=c1\c(=C/N)[nH]c2ccc(Br)cc12)c1cccnc1
InChIInChI=1S/C17H14BrN3/c1-11(12-3-2-6-20-10-12)7-14-15-8-13(18)4-5-16(15)21-17(14)9-19/h2-10,21H,1,19H2/b14-7-,17-9+
InChIKeyWQKLBGOZEDGDMD-BIPVTQOYSA-N
MW340.22 g/mol
LogP2.52
Rot. Bonds2

About (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine

(E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine (PubChem CID 88936493) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine
PubChem CID88936493
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC Name(E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine
SMILESC=C(/C=c1\c(=C/N)[nH]c2ccc(Br)cc12)c1cccnc1
InChIInChI=1S/C17H14BrN3/c1-11(12-3-2-6-20-10-12)7-14-15-8-13(18)4-5-16(15)21-17(14)9-19/h2-10,21H,1,19H2/b14-7-,17-9+
InChIKeyWQKLBGOZEDGDMD-BIPVTQOYSA-N
XLogP2.52
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine?
The IUPAC name of (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine (CID 88936493) is (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine.
What is the SMILES notation for (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine?
The canonical SMILES for (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine is C=C(/C=c1\c(=C/N)[nH]c2ccc(Br)cc12)c1cccnc1.
What is the InChIKey of (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine?
The InChIKey is WQKLBGOZEDGDMD-BIPVTQOYSA-N. The full InChI is InChI=1S/C17H14BrN3/c1-11(12-3-2-6-20-10-12)7-14-15-8-13(18)4-5-16(15)21-17(14)9-19/h2-10,21H,1,19H2/b14-7-,17-9+.
What are the key properties of (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine?
(E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine has a molecular weight of 340.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine is sourced from PubChem (CID 88936493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).