4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine

C9H5F2N5O2 — CID 79767338

IUPAC4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2c(F)ccc([N+](=O)[O-])c2F)n1
InChIInChI=1S/C9H5F2N5O2/c10-4-1-2-5(16(17)18)7(11)6(4)8-13-3-14-9(12)15-8/h1-3H,(H2,12,13,14,15)
InChIKeyHKBGSUMJYJKTAA-UHFFFAOYSA-N
MW253.17 g/mol
LogP1.31
Rot. Bonds2

About 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine

4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine (PubChem CID 79767338) has the molecular formula C9H5F2N5O2 and a molecular weight of 253.17 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine
PubChem CID79767338
Molecular FormulaC9H5F2N5O2
Molecular Weight253.17 g/mol
Exact Mass253.04
IUPAC Name4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2c(F)ccc([N+](=O)[O-])c2F)n1
InChIInChI=1S/C9H5F2N5O2/c10-4-1-2-5(16(17)18)7(11)6(4)8-13-3-14-9(12)15-8/h1-3H,(H2,12,13,14,15)
InChIKeyHKBGSUMJYJKTAA-UHFFFAOYSA-N
XLogP1.31
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 79757384
2-(2,6-difluoro-3-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 79755846
5-chloro-3-(2,6-difluoro-3-nitrophenyl)-1H-1,2,4-triazole
CID 79767644
(2R)-2-amino-2-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114985996
2-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428156
5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
CID 79768783
N-cyclopropyl-3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 79755256
N-[[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79756258
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771649
1-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79753728
(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine
CID 130623975
7-fluoro-4-nitro-1H-benzimidazol-2-amine
CID 137286104

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine (CID 79767338) is 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine is Nc1ncnc(-c2c(F)ccc([N+](=O)[O-])c2F)n1.
What is the InChIKey of 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine?
The InChIKey is HKBGSUMJYJKTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N5O2/c10-4-1-2-5(16(17)18)7(11)6(4)8-13-3-14-9(12)15-8/h1-3H,(H2,12,13,14,15).
What are the key properties of 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine?
4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine has a molecular weight of 253.17 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79767338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).