N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine

C12H10ClN3O2 — CID 2804600

IUPACN-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C12H10ClN3O2/c13-10-3-1-9(2-4-10)7-14-12-6-5-11(8-15-12)16(17)18/h1-6,8H,7H2,(H,14,15)
InChIKeyJPZWJLFDYGALIJ-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.26
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine

N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine (PubChem CID 2804600) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine
PubChem CID2804600
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C12H10ClN3O2/c13-10-3-1-9(2-4-10)7-14-12-6-5-11(8-15-12)16(17)18/h1-6,8H,7H2,(H,14,15)
InChIKeyJPZWJLFDYGALIJ-UHFFFAOYSA-N
XLogP3.26
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methyl]-5-nitropyridin-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine (CID 2804600) is N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine?
The InChIKey is JPZWJLFDYGALIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-10-3-1-9(2-4-10)7-14-12-6-5-11(8-15-12)16(17)18/h1-6,8H,7H2,(H,14,15).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine?
N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine has a molecular weight of 263.68 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 2804600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).