N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide

C14H11BrFN3O3 — CID 18162269

IUPACN'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
SMILESO=C(COc1ccc(F)cc1Br)NNC(=O)c1cccnc1
InChIInChI=1S/C14H11BrFN3O3/c15-11-6-10(16)3-4-12(11)22-8-13(20)18-19-14(21)9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyIMBISUOGIMSKPW-UHFFFAOYSA-N
MW368.16 g/mol
LogP1.82
Rot. Bonds4

About N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide

N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 18162269) has the molecular formula C14H11BrFN3O3 and a molecular weight of 368.16 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID18162269
Molecular FormulaC14H11BrFN3O3
Molecular Weight368.16 g/mol
Exact Mass367.00
IUPAC NameN'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
SMILESO=C(COc1ccc(F)cc1Br)NNC(=O)c1cccnc1
InChIInChI=1S/C14H11BrFN3O3/c15-11-6-10(16)3-4-12(11)22-8-13(20)18-19-14(21)9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyIMBISUOGIMSKPW-UHFFFAOYSA-N
XLogP1.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.16
LogP ≤ 51.82
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-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18159243
2-(2-bromo-4-fluorophenoxy)-N-cyanoacetamide
CID 79194674
2-(2-bromo-4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369309
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
2-(2-bromo-4-fluorophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 25357467
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide (CID 18162269) is N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide is O=C(COc1ccc(F)cc1Br)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is IMBISUOGIMSKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O3/c15-11-6-10(16)3-4-12(11)22-8-13(20)18-19-14(21)9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide?
N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 368.16 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 18162269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).