N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide

C14H12BrN3O — CID 3448394

IUPACN'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
SMILESC=C(NNC(=O)c1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O/c1-10(11-5-7-12(15)8-6-11)17-18-14(19)13-4-2-3-9-16-13/h2-9,17H,1H2,(H,18,19)
InChIKeyMPIIMNGVOFMENC-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.75
Rot. Bonds4

About N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide

N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide (PubChem CID 3448394) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
PubChem CID3448394
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC NameN'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
SMILESC=C(NNC(=O)c1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O/c1-10(11-5-7-12(15)8-6-11)17-18-14(19)13-4-2-3-9-16-13/h2-9,17H,1H2,(H,18,19)
InChIKeyMPIIMNGVOFMENC-UHFFFAOYSA-N
XLogP2.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate
CID 3615673
4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide
CID 4789969
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 9331928
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
1-amino-3-(pyridine-2-carbonylamino)urea
CID 175507593
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
N'-[1-(4-hydroxyphenyl)ethenyl]pyrazine-2-carbohydrazide
CID 3484316
N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide
CID 171364209
N'-(4,5-dibromothiophene-2-carbonyl)pyridine-2-carbohydrazide
CID 9330718
2-(pyridine-2-carbonylamino)prop-2-enoic acid
CID 11095447
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide (CID 3448394) is N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide is C=C(NNC(=O)c1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide?
The InChIKey is MPIIMNGVOFMENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-10(11-5-7-12(15)8-6-11)17-18-14(19)13-4-2-3-9-16-13/h2-9,17H,1H2,(H,18,19).
What are the key properties of N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide?
N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide has a molecular weight of 318.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 3448394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).