N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide

C14H12ClN3O2 — CID 21448761

IUPACN-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide
SMILESCC(=O)N(N)c1ccc(Cl)nc1C(=O)c1ccccc1
InChIInChI=1S/C14H12ClN3O2/c1-9(19)18(16)11-7-8-12(15)17-13(11)14(20)10-5-3-2-4-6-10/h2-8H,16H2,1H3
InChIKeyNGHJIKZCSKCRGH-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.19
Rot. Bonds3

About N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide

N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide (PubChem CID 21448761) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide
PubChem CID21448761
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide
SMILESCC(=O)N(N)c1ccc(Cl)nc1C(=O)c1ccccc1
InChIInChI=1S/C14H12ClN3O2/c1-9(19)18(16)11-7-8-12(15)17-13(11)14(20)10-5-3-2-4-6-10/h2-8H,16H2,1H3
InChIKeyNGHJIKZCSKCRGH-UHFFFAOYSA-N
XLogP2.19
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide?
The IUPAC name of N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide (CID 21448761) is N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide?
The canonical SMILES for N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide is CC(=O)N(N)c1ccc(Cl)nc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide?
The InChIKey is NGHJIKZCSKCRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-9(19)18(16)11-7-8-12(15)17-13(11)14(20)10-5-3-2-4-6-10/h2-8H,16H2,1H3.
What are the key properties of N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide?
N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide has a molecular weight of 289.72 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chloro-3-pyridinyl)acetohydrazide is sourced from PubChem (CID 21448761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).