N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide

C9H10BrF2N3O2 — CID 66849873

IUPACN'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide
SMILESCOCC(F)(F)C(=O)NNc1ccc(Br)cn1
InChIInChI=1S/C9H10BrF2N3O2/c1-17-5-9(11,12)8(16)15-14-7-3-2-6(10)4-13-7/h2-4H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyPAMWKKJNCDQMJY-UHFFFAOYSA-N
MW310.10 g/mol
LogP1.57
Rot. Bonds5

About N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide

N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide (PubChem CID 66849873) has the molecular formula C9H10BrF2N3O2 and a molecular weight of 310.10 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide
PubChem CID66849873
Molecular FormulaC9H10BrF2N3O2
Molecular Weight310.10 g/mol
Exact Mass308.99
IUPAC NameN'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide
SMILESCOCC(F)(F)C(=O)NNc1ccc(Br)cn1
InChIInChI=1S/C9H10BrF2N3O2/c1-17-5-9(11,12)8(16)15-14-7-3-2-6(10)4-13-7/h2-4H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyPAMWKKJNCDQMJY-UHFFFAOYSA-N
XLogP1.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
[(5-bromo-2-pyridinyl)amino]urea
CID 130626897
N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide
CID 1070867
methyl 4-[(5-bromo-2-pyridinyl)amino]-3,3-dimethyl-4-oxobutanoate
CID 90009998
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide
CID 21071710
N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
CID 60655115
N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 86847511
4-amino-N-(5-bromo-2-pyridinyl)-3-methoxybutanamide
CID 103154268
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide (CID 66849873) is N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide is COCC(F)(F)C(=O)NNc1ccc(Br)cn1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide?
The InChIKey is PAMWKKJNCDQMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N3O2/c1-17-5-9(11,12)8(16)15-14-7-3-2-6(10)4-13-7/h2-4H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide?
N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide has a molecular weight of 310.10 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide is sourced from PubChem (CID 66849873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).