5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide

C9H10ClN3O — CID 169477771

IUPAC5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide
SMILESNNC(=O)c1cncc(C=CCCl)c1
InChIInChI=1S/C9H10ClN3O/c10-3-1-2-7-4-8(6-12-5-7)9(14)13-11/h1-2,4-6H,3,11H2,(H,13,14)
InChIKeyNFDNBUBAUGMMGD-UHFFFAOYSA-N
MW211.65 g/mol
LogP0.94
Rot. Bonds3

About 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide

5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide (PubChem CID 169477771) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide
PubChem CID169477771
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide
SMILESNNC(=O)c1cncc(C=CCCl)c1
InChIInChI=1S/C9H10ClN3O/c10-3-1-2-7-4-8(6-12-5-7)9(14)13-11/h1-2,4-6H,3,11H2,(H,13,14)
InChIKeyNFDNBUBAUGMMGD-UHFFFAOYSA-N
XLogP0.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nicotinamide
CID 936
Isoniazid
CID 3767
N,N-Diethylnicotinamide
CID 5497
N'-Methylnicotinamide
CID 64950
1-Methylnicotinamide
CID 457
Acetylisoniazid
CID 71602
N-Ethylnicotinamide
CID 78007
Nicotinic acid, hydrazide
CID 11112
3-Carbamyl-1-methylpyridinium Chloride
CID 70495
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-Piperidin-1-yl-nicotinamide
CID 787224
5-Fluoronicotinamide
CID 101264

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide?
The IUPAC name of 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide (CID 169477771) is 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide?
The canonical SMILES for 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide is NNC(=O)c1cncc(C=CCCl)c1.
What is the InChIKey of 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide?
The InChIKey is NFDNBUBAUGMMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-3-1-2-7-4-8(6-12-5-7)9(14)13-11/h1-2,4-6H,3,11H2,(H,13,14).
What are the key properties of 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide?
5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide has a molecular weight of 211.65 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 169477771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).