N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide

C21H20BrN3O4 — CID 1107288

IUPACN'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide
SMILESCOc1ccccc1C(O)(C(=O)NNc1cccc(Br)n1)c1ccccc1OC
InChIInChI=1S/C21H20BrN3O4/c1-28-16-10-5-3-8-14(16)21(27,15-9-4-6-11-17(15)29-2)20(26)25-24-19-13-7-12-18(22)23-19/h3-13,27H,1-2H3,(H,23,24)(H,25,26)
InChIKeyBJWVLDKEXLTMNE-UHFFFAOYSA-N
MW458.31 g/mol
LogP3.24
Rot. Bonds7

About N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide

N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide (PubChem CID 1107288) has the molecular formula C21H20BrN3O4 and a molecular weight of 458.31 g/mol. Its IUPAC name is N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide
PubChem CID1107288
Molecular FormulaC21H20BrN3O4
Molecular Weight458.31 g/mol
Exact Mass457.06
IUPAC NameN'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide
SMILESCOc1ccccc1C(O)(C(=O)NNc1cccc(Br)n1)c1ccccc1OC
InChIInChI=1S/C21H20BrN3O4/c1-28-16-10-5-3-8-14(16)21(27,15-9-4-6-11-17(15)29-2)20(26)25-24-19-13-7-12-18(22)23-19/h3-13,27H,1-2H3,(H,23,24)(H,25,26)
InChIKeyBJWVLDKEXLTMNE-UHFFFAOYSA-N
XLogP3.24
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.31
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-(2-methoxyphenyl)-N'-(4-methylphenyl)-2-thiophen-2-ylacetohydrazide
CID 3479153
N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide
CID 1046257
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114684136
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide?
The IUPAC name of N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide (CID 1107288) is N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide?
The canonical SMILES for N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide is COc1ccccc1C(O)(C(=O)NNc1cccc(Br)n1)c1ccccc1OC.
What is the InChIKey of N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide?
The InChIKey is BJWVLDKEXLTMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O4/c1-28-16-10-5-3-8-14(16)21(27,15-9-4-6-11-17(15)29-2)20(26)25-24-19-13-7-12-18(22)23-19/h3-13,27H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide?
N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide has a molecular weight of 458.31 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide is sourced from PubChem (CID 1107288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).