5-chloro-3-(methylamino)pyridine-2-carbohydrazide

C7H9ClN4O — CID 71131255

IUPAC5-chloro-3-(methylamino)pyridine-2-carbohydrazide
SMILESCNc1cc(Cl)cnc1C(=O)NN
InChIInChI=1S/C7H9ClN4O/c1-10-5-2-4(8)3-11-6(5)7(13)12-9/h2-3,10H,9H2,1H3,(H,12,13)
InChIKeyYNLKCYYGYFNIRH-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.38
Rot. Bonds2

About 5-chloro-3-(methylamino)pyridine-2-carbohydrazide

5-chloro-3-(methylamino)pyridine-2-carbohydrazide (PubChem CID 71131255) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-3-(methylamino)pyridine-2-carbohydrazide
PubChem CID71131255
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name5-chloro-3-(methylamino)pyridine-2-carbohydrazide
SMILESCNc1cc(Cl)cnc1C(=O)NN
InChIInChI=1S/C7H9ClN4O/c1-10-5-2-4(8)3-11-6(5)7(13)12-9/h2-3,10H,9H2,1H3,(H,12,13)
InChIKeyYNLKCYYGYFNIRH-UHFFFAOYSA-N
XLogP0.38
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.38
H-Bond Donors ≤ 53
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'}

Analyze 5-chloro-3-(methylamino)pyridine-2-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)pyridine-2-carbohydrazide?
The IUPAC name of 5-chloro-3-(methylamino)pyridine-2-carbohydrazide (CID 71131255) is 5-chloro-3-(methylamino)pyridine-2-carbohydrazide.
What is the SMILES notation for 5-chloro-3-(methylamino)pyridine-2-carbohydrazide?
The canonical SMILES for 5-chloro-3-(methylamino)pyridine-2-carbohydrazide is CNc1cc(Cl)cnc1C(=O)NN.
What is the InChIKey of 5-chloro-3-(methylamino)pyridine-2-carbohydrazide?
The InChIKey is YNLKCYYGYFNIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-10-5-2-4(8)3-11-6(5)7(13)12-9/h2-3,10H,9H2,1H3,(H,12,13).
What are the key properties of 5-chloro-3-(methylamino)pyridine-2-carbohydrazide?
5-chloro-3-(methylamino)pyridine-2-carbohydrazide has a molecular weight of 200.63 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)pyridine-2-carbohydrazide is sourced from PubChem (CID 71131255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).