N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide

C11H10BrN3O — CID 148611727

IUPACN,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide
SMILESC=CN(C=C)/C(Br)=N/C(=O)c1cccnc1
InChIInChI=1S/C11H10BrN3O/c1-3-15(4-2)11(12)14-10(16)9-6-5-7-13-8-9/h3-8H,1-2H2/b14-11+
InChIKeyNEMVTXRIHLYPAC-SDNWHVSQSA-N
MW280.13 g/mol
LogP2.56
Rot. Bonds3

About N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide

N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide (PubChem CID 148611727) has the molecular formula C11H10BrN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide.

Molecular Properties

Compound NameN,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide
PubChem CID148611727
Molecular FormulaC11H10BrN3O
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC NameN,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide
SMILESC=CN(C=C)/C(Br)=N/C(=O)c1cccnc1
InChIInChI=1S/C11H10BrN3O/c1-3-15(4-2)11(12)14-10(16)9-6-5-7-13-8-9/h3-8H,1-2H2/b14-11+
InChIKeyNEMVTXRIHLYPAC-SDNWHVSQSA-N
XLogP2.56
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-sulfanylidenepyridine-3-carboxamide
CID 23289350
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate
CID 52913094
N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine
CID 143908274
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione
CID 57283550
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
CID 157283677
CID 157283677
CID 131854915
CID 131854915
nickel;pyridine-3-carboxylic acid
CID 174049937
2,3-dioxo-3-pyridin-3-ylpropanoic acid
CID 83529828
formonitrile;1-pyridin-3-ylethanone
CID 174750729

Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide?
The IUPAC name of N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide (CID 148611727) is N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide.
What is the SMILES notation for N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide?
The canonical SMILES for N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide is C=CN(C=C)/C(Br)=N/C(=O)c1cccnc1.
What is the InChIKey of N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide?
The InChIKey is NEMVTXRIHLYPAC-SDNWHVSQSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-3-15(4-2)11(12)14-10(16)9-6-5-7-13-8-9/h3-8H,1-2H2/b14-11+.
What are the key properties of N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide?
N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide has a molecular weight of 280.13 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide is sourced from PubChem (CID 148611727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).