6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine

C11H7ClF2N4O2 — CID 83083529

IUPAC6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine
SMILESNc1nc(Nc2c(F)cc(F)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H7ClF2N4O2/c12-6-3-5(13)4-7(14)10(6)16-9-2-1-8(18(19)20)11(15)17-9/h1-4H,(H3,15,16,17)
InChIKeyYUBHRCOKMCVGTI-UHFFFAOYSA-N
MW300.65 g/mol
LogP3.25
Rot. Bonds3

About 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine

6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine (PubChem CID 83083529) has the molecular formula C11H7ClF2N4O2 and a molecular weight of 300.65 g/mol. Its IUPAC name is 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine
PubChem CID83083529
Molecular FormulaC11H7ClF2N4O2
Molecular Weight300.65 g/mol
Exact Mass300.02
IUPAC Name6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine
SMILESNc1nc(Nc2c(F)cc(F)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H7ClF2N4O2/c12-6-3-5(13)4-7(14)10(6)16-9-2-1-8(18(19)20)11(15)17-9/h1-4H,(H3,15,16,17)
InChIKeyYUBHRCOKMCVGTI-UHFFFAOYSA-N
XLogP3.25
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine 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

2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617728
5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 83088172
2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 83072874
6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine
CID 79825461
2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 83075238
6-N-[(5-bromo-2-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 79827105
4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 83082816
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-nitrophenyl)methyl]aniline
CID 83078219
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080
2-chloro-4,6-difluoro-N-[(2-fluoro-3-nitrophenyl)methyl]aniline
CID 107349390
5-(2,6-dichloro-4-fluoroanilino)-2-nitrobenzonitrile
CID 83078079

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine (CID 83083529) is 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine is Nc1nc(Nc2c(F)cc(F)cc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine?
The InChIKey is YUBHRCOKMCVGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N4O2/c12-6-3-5(13)4-7(14)10(6)16-9-2-1-8(18(19)20)11(15)17-9/h1-4H,(H3,15,16,17).
What are the key properties of 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine?
6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine has a molecular weight of 300.65 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 83083529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).