3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine

C11H6F4N4O2 — CID 107647104

IUPAC3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine
SMILESNc1ccc([N+](=O)[O-])c(Nc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C11H6F4N4O2/c12-4-3-5(13)9(15)10(8(4)14)18-11-6(19(20)21)1-2-7(16)17-11/h1-3H,(H3,16,17,18)
InChIKeyZEFIBSFZILFMSI-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.87
Rot. Bonds3

About 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine

3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine (PubChem CID 107647104) has the molecular formula C11H6F4N4O2 and a molecular weight of 302.19 g/mol. Its IUPAC name is 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine
PubChem CID107647104
Molecular FormulaC11H6F4N4O2
Molecular Weight302.19 g/mol
Exact Mass302.04
IUPAC Name3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine
SMILESNc1ccc([N+](=O)[O-])c(Nc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C11H6F4N4O2/c12-4-3-5(13)9(15)10(8(4)14)18-11-6(19(20)21)1-2-7(16)17-11/h1-3H,(H3,16,17,18)
InChIKeyZEFIBSFZILFMSI-UHFFFAOYSA-N
XLogP2.87
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-N-(3-bromo-4-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 104782017
2-N-(4-bromo-2-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 80759954
2-N-(3-chloro-5-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 107371066
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80923986
2-N-[2-(3,5-difluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80803855
2-N-(3-bromo-4-chlorophenyl)-3-nitropyridine-2,6-diamine
CID 80855442
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 82802019
2-[(6-amino-3-nitro-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82713499
3-nitro-2-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 80759844
2-N-(4-bromo-2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 81289863
2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine
CID 80729028
3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 114159816

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine?
The IUPAC name of 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine (CID 107647104) is 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine?
The canonical SMILES for 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine is Nc1ccc([N+](=O)[O-])c(Nc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine?
The InChIKey is ZEFIBSFZILFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N4O2/c12-4-3-5(13)9(15)10(8(4)14)18-11-6(19(20)21)1-2-7(16)17-11/h1-3H,(H3,16,17,18).
What are the key properties of 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine?
3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine has a molecular weight of 302.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 107647104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).