5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine

C12H13ClN4 — CID 105199320

IUPAC5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine
SMILESNNC(c1ccccc1)c1cc(Cl)cnc1N
InChIInChI=1S/C12H13ClN4/c13-9-6-10(12(14)16-7-9)11(17-15)8-4-2-1-3-5-8/h1-7,11,17H,15H2,(H2,14,16)
InChIKeyLJKPMYVPKWTTCU-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.87
Rot. Bonds3

About 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine

5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine (PubChem CID 105199320) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine
PubChem CID105199320
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine
SMILESNNC(c1ccccc1)c1cc(Cl)cnc1N
InChIInChI=1S/C12H13ClN4/c13-9-6-10(12(14)16-7-9)11(17-15)8-4-2-1-3-5-8/h1-7,11,17H,15H2,(H2,14,16)
InChIKeyLJKPMYVPKWTTCU-UHFFFAOYSA-N
XLogP1.87
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine 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

5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine
CID 105215434
3-[(3-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105194796
5-chloro-3-[hydrazinyl-(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 105258421
5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine
CID 81492008
3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
CID 105231228
3-[(2-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105211209
5-chloro-3-[hydrazinyl(1H-imidazol-2-yl)methyl]pyridin-2-amine
CID 105252211
5-chloro-3-[(3-ethyl-2-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105263852
5-chloro-3-[hydrazinyl-(2-methylpyrimidin-4-yl)methyl]pyridin-2-amine
CID 105260556
3-[(5-amino-1-methylpyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
CID 105230884
3-[(3,5-dichlorophenyl)-hydrazinylmethyl]pyridin-2-amine
CID 107918402
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine (CID 105199320) is 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine is NNC(c1ccccc1)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine?
The InChIKey is LJKPMYVPKWTTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-9-6-10(12(14)16-7-9)11(17-15)8-4-2-1-3-5-8/h1-7,11,17H,15H2,(H2,14,16).
What are the key properties of 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine?
5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine has a molecular weight of 248.72 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 105199320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).