3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide

C13H12ClN3O2 — CID 64601823

IUPAC3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2cncc(Cl)c2)c1
InChIInChI=1S/C13H12ClN3O2/c14-11-5-12(7-16-6-11)19-8-9-2-1-3-10(4-9)13(18)17-15/h1-7H,8,15H2,(H,17,18)
InChIKeyBNDKBHUNBQXNTC-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.92
Rot. Bonds4

About 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide

3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide (PubChem CID 64601823) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
PubChem CID64601823
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2cncc(Cl)c2)c1
InChIInChI=1S/C13H12ClN3O2/c14-11-5-12(7-16-6-11)19-8-9-2-1-3-10(4-9)13(18)17-15/h1-7H,8,15H2,(H,17,18)
InChIKeyBNDKBHUNBQXNTC-UHFFFAOYSA-N
XLogP1.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602541
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide
CID 114324027
4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 106698444
4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide
CID 64601650

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide (CID 64601823) is 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide is NNC(=O)c1cccc(COc2cncc(Cl)c2)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide?
The InChIKey is BNDKBHUNBQXNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-11-5-12(7-16-6-11)19-8-9-2-1-3-10(4-9)13(18)17-15/h1-7H,8,15H2,(H,17,18).
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide?
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide has a molecular weight of 277.71 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide is sourced from PubChem (CID 64601823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).