2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine

C12H11FN4O2 — CID 80760716

IUPAC2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN4O2/c1-14-11-7-6-10(17(18)19)12(16-11)15-9-4-2-8(13)3-5-9/h2-7H,1H3,(H2,14,15,16)
InChIKeyZXBVLZPEQJCVNG-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.91
Rot. Bonds4

About 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine

2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine (PubChem CID 80760716) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
PubChem CID80760716
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN4O2/c1-14-11-7-6-10(17(18)19)12(16-11)15-9-4-2-8(13)3-5-9/h2-7H,1H3,(H2,14,15,16)
InChIKeyZXBVLZPEQJCVNG-UHFFFAOYSA-N
XLogP2.91
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.91
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'}

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Related Compounds

2-N-(5-fluoro-2-methylphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80762064
2-N-(2-chloro-5-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107531868
2-N-(4-fluoro-2-methoxyphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80785711
2-N-(4-bromo-3-chlorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617867
2-N-(5-chloro-2-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80780190
3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
CID 2783708
6-N-methyl-3-nitro-2-N-(2,4,5-trichlorophenyl)pyridine-2,6-diamine
CID 80748177
6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
2-N-(4-bromo-2,5-difluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107608390
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617728
2-N-[(2,4-difluorophenyl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80796839
2-N-[4-(4-aminopiperidin-1-yl)-3-fluorophenyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 67995077

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine (CID 80760716) is 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The InChIKey is ZXBVLZPEQJCVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-14-11-7-6-10(17(18)19)12(16-11)15-9-4-2-8(13)3-5-9/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine has a molecular weight of 262.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80760716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).