6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide

C13H10BrCl2N3O2 — CID 107661620

IUPAC6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(COc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C13H10BrCl2N3O2/c14-8-4-10(16)12(5-9(8)15)21-6-7-2-1-3-11(18-7)13(20)19-17/h1-5H,6,17H2,(H,19,20)
InChIKeyYIGCKFNPJYKYNW-UHFFFAOYSA-N
MW391.05 g/mol
LogP3.33
Rot. Bonds4

About 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide

6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide (PubChem CID 107661620) has the molecular formula C13H10BrCl2N3O2 and a molecular weight of 391.05 g/mol. Its IUPAC name is 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
PubChem CID107661620
Molecular FormulaC13H10BrCl2N3O2
Molecular Weight391.05 g/mol
Exact Mass388.93
IUPAC Name6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(COc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C13H10BrCl2N3O2/c14-8-4-10(16)12(5-9(8)15)21-6-7-2-1-3-11(18-7)13(20)19-17/h1-5H,6,17H2,(H,19,20)
InChIKeyYIGCKFNPJYKYNW-UHFFFAOYSA-N
XLogP3.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 107661607
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908806
5-[(4-bromo-2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 107661600
6-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbohydrazide
CID 107714185
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]benzamide
CID 106908853
6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107668852
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 107656486
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide (CID 107661620) is 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(COc2cc(Cl)c(Br)cc2Cl)n1.
What is the InChIKey of 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide?
The InChIKey is YIGCKFNPJYKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3O2/c14-8-4-10(16)12(5-9(8)15)21-6-7-2-1-3-11(18-7)13(20)19-17/h1-5H,6,17H2,(H,19,20).
What are the key properties of 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide?
6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide has a molecular weight of 391.05 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 107661620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).