6-chloro-N-cyclopropyl-3-nitropyridin-2-amine

C8H8ClN3O2 — CID 18466602

IUPAC6-chloro-N-cyclopropyl-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NC1CC1
InChIInChI=1S/C8H8ClN3O2/c9-7-4-3-6(12(13)14)8(11-7)10-5-1-2-5/h3-5H,1-2H2,(H,10,11)
InChIKeyFYIAEAAQBSHDPC-UHFFFAOYSA-N
MW213.62 g/mol
LogP2.22
Rot. Bonds3

About 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine

6-chloro-N-cyclopropyl-3-nitropyridin-2-amine (PubChem CID 18466602) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-3-nitropyridin-2-amine
PubChem CID18466602
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name6-chloro-N-cyclopropyl-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NC1CC1
InChIInChI=1S/C8H8ClN3O2/c9-7-4-3-6(12(13)14)8(11-7)10-5-1-2-5/h3-5H,1-2H2,(H,10,11)
InChIKeyFYIAEAAQBSHDPC-UHFFFAOYSA-N
XLogP2.22
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-N-cyclopropyl-3-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 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine (CID 18466602) is 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1NC1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine?
The InChIKey is FYIAEAAQBSHDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c9-7-4-3-6(12(13)14)8(11-7)10-5-1-2-5/h3-5H,1-2H2,(H,10,11).
What are the key properties of 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine?
6-chloro-N-cyclopropyl-3-nitropyridin-2-amine has a molecular weight of 213.62 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-3-nitropyridin-2-amine is sourced from PubChem (CID 18466602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).