N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide

C12H8BrClN4O2 — CID 42015952

IUPACN'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Br)ccc1Cl)c1cnccn1
InChIInChI=1S/C12H8BrClN4O2/c13-7-1-2-9(14)8(5-7)11(19)17-18-12(20)10-6-15-3-4-16-10/h1-6H,(H,17,19)(H,18,20)
InChIKeyGGKVIRCOGVAQHN-UHFFFAOYSA-N
MW355.58 g/mol
LogP1.97
Rot. Bonds2

About N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide

N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide (PubChem CID 42015952) has the molecular formula C12H8BrClN4O2 and a molecular weight of 355.58 g/mol. Its IUPAC name is N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide
PubChem CID42015952
Molecular FormulaC12H8BrClN4O2
Molecular Weight355.58 g/mol
Exact Mass353.95
IUPAC NameN'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Br)ccc1Cl)c1cnccn1
InChIInChI=1S/C12H8BrClN4O2/c13-7-1-2-9(14)8(5-7)11(19)17-18-12(20)10-6-15-3-4-16-10/h1-6H,(H,17,19)(H,18,20)
InChIKeyGGKVIRCOGVAQHN-UHFFFAOYSA-N
XLogP1.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N'-(2-methylbenzoyl)pyrazine-2-carbohydrazide
CID 793891
N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 9331928
N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
CID 18207978
N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
CID 42016001
N-(pyrazine-2-carbonylamino)carbamodithioate
CID 135545558
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
CID 122243688

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide (CID 42015952) is N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide is O=C(NNC(=O)c1cc(Br)ccc1Cl)c1cnccn1.
What is the InChIKey of N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide?
The InChIKey is GGKVIRCOGVAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O2/c13-7-1-2-9(14)8(5-7)11(19)17-18-12(20)10-6-15-3-4-16-10/h1-6H,(H,17,19)(H,18,20).
What are the key properties of N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide?
N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide has a molecular weight of 355.58 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 42015952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).