N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine

C11H11BrN4 — CID 143178872

IUPACN-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine
SMILESCN/N=C\C=C\c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C11H11BrN4/c1-13-16-4-2-3-8-6-14-11-10(8)5-9(12)7-15-11/h2-7,13H,1H3,(H,14,15)/b3-2+,16-4-
InChIKeyUJJURZXJQFPKIW-CYTILCLQSA-N
MW279.14 g/mol
LogP2.54
Rot. Bonds3

About N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine

N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine (PubChem CID 143178872) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine
PubChem CID143178872
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC NameN-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine
SMILESCN/N=C\C=C\c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C11H11BrN4/c1-13-16-4-2-3-8-6-14-11-10(8)5-9(12)7-15-11/h2-7,13H,1H3,(H,14,15)/b3-2+,16-4-
InChIKeyUJJURZXJQFPKIW-CYTILCLQSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide
CID 144889171
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 167028485
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanone
CID 143385143
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole
CID 164946219
N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide
CID 141399732
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 70973837
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine (CID 143178872) is N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine is CN/N=C\C=C\c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine?
The InChIKey is UJJURZXJQFPKIW-CYTILCLQSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-13-16-4-2-3-8-6-14-11-10(8)5-9(12)7-15-11/h2-7,13H,1H3,(H,14,15)/b3-2+,16-4-.
What are the key properties of N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine?
N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine has a molecular weight of 279.14 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine is sourced from PubChem (CID 143178872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).