N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide

C15H14BrN3O3 — CID 4791450

IUPACN'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C15H14BrN3O3/c1-10(22-12-6-4-5-11(16)9-12)14(20)18-19-15(21)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyONFHZHKPXDHPAR-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.07
Rot. Bonds4

About N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide

N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide (PubChem CID 4791450) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide
PubChem CID4791450
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C15H14BrN3O3/c1-10(22-12-6-4-5-11(16)9-12)14(20)18-19-15(21)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyONFHZHKPXDHPAR-UHFFFAOYSA-N
XLogP2.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.07
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

N'-[2-(3,5-dimethylphenoxy)acetyl]pyridine-2-carbohydrazide
CID 16330911
Pyridine-2-carboxylic acid N'-[2-(4-methoxy-phenoxy)-acetyl]-hydrazide
CID 774167
Pyridine-2-carboxylic acid N'-[2-(4-chloro-phenoxy)-acetyl]-hydrazide
CID 793931
N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24983185
2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 2953636
N'-(2-phenoxypropanoyl)pyridine-2-carbohydrazide
CID 3743145
N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24817911
2-(2-Bromophenoxy)-1-pyridin-2-ylethanone
CID 57391520
2-Pyridinecarboxylic acid, 2-(2H-1,4-benzoxazin-3-yl)hydrazide
CID 3061305
N-(2-{[(4-bromophenoxy)acetyl]amino}ethyl)pyridine-2-carboxamide
CID 2991712
5-fluoro-N'-(4-methoxyphenyl)pyridine-2-carbohydrazide
CID 172446314
N'-(4-methoxyphenyl)pyridine-2-carbohydrazide
CID 85556814

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide (CID 4791450) is N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide?
The InChIKey is ONFHZHKPXDHPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c1-10(22-12-6-4-5-11(16)9-12)14(20)18-19-15(21)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide has a molecular weight of 364.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 4791450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).