N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide

C13H10BrClFN3O2 — CID 123701319

IUPACN'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NNc2ccc(Br)cc2Cl)cc(F)c1=O
InChIInChI=1S/C13H10BrClFN3O2/c1-19-6-7(4-10(16)13(19)21)12(20)18-17-11-3-2-8(14)5-9(11)15/h2-6,17H,1H3,(H,18,20)
InChIKeyBYRRIDMPZZFARM-UHFFFAOYSA-N
MW374.60 g/mol
LogP2.70
Rot. Bonds3

About N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide

N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide (PubChem CID 123701319) has the molecular formula C13H10BrClFN3O2 and a molecular weight of 374.60 g/mol. Its IUPAC name is N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide
PubChem CID123701319
Molecular FormulaC13H10BrClFN3O2
Molecular Weight374.60 g/mol
Exact Mass372.96
IUPAC NameN'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NNc2ccc(Br)cc2Cl)cc(F)c1=O
InChIInChI=1S/C13H10BrClFN3O2/c1-19-6-7(4-10(16)13(19)21)12(20)18-17-11-3-2-8(14)5-9(11)15/h2-6,17H,1H3,(H,18,20)
InChIKeyBYRRIDMPZZFARM-UHFFFAOYSA-N
XLogP2.70
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.60
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide (CID 123701319) is N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide is Cn1cc(C(=O)NNc2ccc(Br)cc2Cl)cc(F)c1=O.
What is the InChIKey of N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide?
The InChIKey is BYRRIDMPZZFARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN3O2/c1-19-6-7(4-10(16)13(19)21)12(20)18-17-11-3-2-8(14)5-9(11)15/h2-6,17H,1H3,(H,18,20).
What are the key properties of N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide?
N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide has a molecular weight of 374.60 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-chlorophenyl)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 123701319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).