6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine

C14H15FN4O2 — CID 80805285

IUPAC6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(Nc2ccc(F)c(C)c2)n1
InChIInChI=1S/C14H15FN4O2/c1-3-16-13-7-6-12(19(20)21)14(18-13)17-10-4-5-11(15)9(2)8-10/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyOFSFCBIUOUEPJA-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.61
Rot. Bonds5

About 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine

6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine (PubChem CID 80805285) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
PubChem CID80805285
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(Nc2ccc(F)c(C)c2)n1
InChIInChI=1S/C14H15FN4O2/c1-3-16-13-7-6-12(19(20)21)14(18-13)17-10-4-5-11(15)9(2)8-10/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyOFSFCBIUOUEPJA-UHFFFAOYSA-N
XLogP3.61
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.61
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-bromo-2-methylphenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774059
2-N-(2-bromo-5-chlorophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 81255899
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 80750781
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 80825643
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
2-N-(2,4-dibromophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80781437
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732
6-N-ethyl-2-N-[(3-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 80771439
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine (CID 80805285) is 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(Nc2ccc(F)c(C)c2)n1.
What is the InChIKey of 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine?
The InChIKey is OFSFCBIUOUEPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-3-16-13-7-6-12(19(20)21)14(18-13)17-10-4-5-11(15)9(2)8-10/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine?
6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine has a molecular weight of 290.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80805285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).