N-(2,5-dichloro-3-pyridinyl)nitramide

C5H3Cl2N3O2 — CID 86161306

IUPACN-(2,5-dichloro-3-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1cc(Cl)cnc1Cl
InChIInChI=1S/C5H3Cl2N3O2/c6-3-1-4(9-10(11)12)5(7)8-2-3/h1-2,9H
InChIKeyZNJKOYAVWZOYNX-UHFFFAOYSA-N
MW208.00 g/mol
LogP1.99
Rot. Bonds2

About N-(2,5-dichloro-3-pyridinyl)nitramide

N-(2,5-dichloro-3-pyridinyl)nitramide (PubChem CID 86161306) has the molecular formula C5H3Cl2N3O2 and a molecular weight of 208.00 g/mol. Its IUPAC name is N-(2,5-dichloro-3-pyridinyl)nitramide.

Molecular Properties

Compound NameN-(2,5-dichloro-3-pyridinyl)nitramide
PubChem CID86161306
Molecular FormulaC5H3Cl2N3O2
Molecular Weight208.00 g/mol
Exact Mass206.96
IUPAC NameN-(2,5-dichloro-3-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1cc(Cl)cnc1Cl
InChIInChI=1S/C5H3Cl2N3O2/c6-3-1-4(9-10(11)12)5(7)8-2-3/h1-2,9H
InChIKeyZNJKOYAVWZOYNX-UHFFFAOYSA-N
XLogP1.99
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,5-dichloro-3-pyridinyl)nitramide 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

N-(4-chloro-2-fluorophenyl)nitramide
CID 57292925
N-(4,5-dichloro-2-pyridinyl)nitramide
CID 122446359
2-chloro-3-ethyl-5-nitropyridine
CID 86657225
5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 135353112
N-(5-chloro-2,4-difluorophenyl)nitramide
CID 57216899
2-chloro-5-nitropyridine-3-carbaldehyde
CID 88905670
CID 162106307
CID 162106307
2-chloro-5-nitro-3-(trichloromethyl)pyridine
CID 135050314
2-chloro-3-(chloromethyl)-5-nitropyridine
CID 172831789
4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol
CID 70584439
sodium 2,5-dichloropyridine-3-sulfinate
CID 139269658
N-(2,3,5,6-tetrachlorophenyl)nitramide
CID 22755541

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-3-pyridinyl)nitramide?
The IUPAC name of N-(2,5-dichloro-3-pyridinyl)nitramide (CID 86161306) is N-(2,5-dichloro-3-pyridinyl)nitramide.
What is the SMILES notation for N-(2,5-dichloro-3-pyridinyl)nitramide?
The canonical SMILES for N-(2,5-dichloro-3-pyridinyl)nitramide is O=[N+]([O-])Nc1cc(Cl)cnc1Cl.
What is the InChIKey of N-(2,5-dichloro-3-pyridinyl)nitramide?
The InChIKey is ZNJKOYAVWZOYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N3O2/c6-3-1-4(9-10(11)12)5(7)8-2-3/h1-2,9H.
What are the key properties of N-(2,5-dichloro-3-pyridinyl)nitramide?
N-(2,5-dichloro-3-pyridinyl)nitramide has a molecular weight of 208.00 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-3-pyridinyl)nitramide is sourced from PubChem (CID 86161306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).