6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine

C11H6ClF2N3O2 — CID 43330260

IUPAC6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1cc(F)ccc1F
InChIInChI=1S/C11H6ClF2N3O2/c12-10-4-3-9(17(18)19)11(16-10)15-8-5-6(13)1-2-7(8)14/h1-5H,(H,15,16)
InChIKeyHABYOIKEFWUNBY-UHFFFAOYSA-N
MW285.64 g/mol
LogP3.66
Rot. Bonds3

About 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine

6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine (PubChem CID 43330260) has the molecular formula C11H6ClF2N3O2 and a molecular weight of 285.64 g/mol. Its IUPAC name is 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
PubChem CID43330260
Molecular FormulaC11H6ClF2N3O2
Molecular Weight285.64 g/mol
Exact Mass285.01
IUPAC Name6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1cc(F)ccc1F
InChIInChI=1S/C11H6ClF2N3O2/c12-10-4-3-9(17(18)19)11(16-10)15-8-5-6(13)1-2-7(8)14/h1-5H,(H,15,16)
InChIKeyHABYOIKEFWUNBY-UHFFFAOYSA-N
XLogP3.66
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.64
LogP ≤ 53.66
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'}

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Related Compounds

2-[(6-chloro-3-nitro-2-pyridinyl)amino]-5-fluorobenzonitrile
CID 82015863
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
2-N-(5-chloro-2-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80780190
N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
CID 113452360
2-N-(2-chloro-5-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107531868
6-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330241
6-chloro-N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 86680902
2-N-(5-fluoro-2-methylphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80762064
2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
CID 106994147
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107639593
4-bromo-2-[(6-chloro-3-nitro-2-pyridinyl)amino]benzonitrile
CID 107800069
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
CID 104820375

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine (CID 43330260) is 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(F)ccc1F.
What is the InChIKey of 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine?
The InChIKey is HABYOIKEFWUNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2N3O2/c12-10-4-3-9(17(18)19)11(16-10)15-8-5-6(13)1-2-7(8)14/h1-5H,(H,15,16).
What are the key properties of 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine?
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine has a molecular weight of 285.64 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 43330260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).