N-(2,4,6-trinitrophenyl)pyridin-3-amine

C11H7N5O6 — CID 3719952

IUPACN-(2,4,6-trinitrophenyl)pyridin-3-amine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7N5O6/c17-14(18)8-4-9(15(19)20)11(10(5-8)16(21)22)13-7-2-1-3-12-6-7/h1-6,13H
InChIKeyNNFCFDYRIJDRTR-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.55
Rot. Bonds5

About N-(2,4,6-trinitrophenyl)pyridin-3-amine

N-(2,4,6-trinitrophenyl)pyridin-3-amine (PubChem CID 3719952) has the molecular formula C11H7N5O6 and a molecular weight of 305.21 g/mol. Its IUPAC name is N-(2,4,6-trinitrophenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2,4,6-trinitrophenyl)pyridin-3-amine
PubChem CID3719952
Molecular FormulaC11H7N5O6
Molecular Weight305.21 g/mol
Exact Mass305.04
IUPAC NameN-(2,4,6-trinitrophenyl)pyridin-3-amine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7N5O6/c17-14(18)8-4-9(15(19)20)11(10(5-8)16(21)22)13-7-2-1-3-12-6-7/h1-6,13H
InChIKeyNNFCFDYRIJDRTR-UHFFFAOYSA-N
XLogP2.55
TPSA154.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2,4-Dinitrophenyl)aminopyridine
CID 2834447
N-cyclohexyl-3-nitropyridin-4-amine
CID 534612
Quinoxaline, 6-nitro-
CID 96029
4-Amino-3-nitropyridine
CID 548803
Pyridinium, 1-(2,4-dinitrophenyl)-, chloride (1:1)
CID 77850
(4-Fluoro-phenyl)-(3-nitro-pyridin-4-yl)-amine
CID 4053416
3-nitro-N-phenylpyridin-4-amine
CID 612005
3-Nitropyridine
CID 137630
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(4-nitrophenyl)pyridin-3-amine
CID 145960262
4-(2-Nitro-4-pyrrolylphenyl)morpholine
CID 7150387
2,4-dinitro-N-[(E)-1-pyridin-3-ylethylideneamino]aniline
CID 9583275
N-(2,4,6-Trinitrophenyl)-2-pyridinamine
CID 3089122

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trinitrophenyl)pyridin-3-amine?
The IUPAC name of N-(2,4,6-trinitrophenyl)pyridin-3-amine (CID 3719952) is N-(2,4,6-trinitrophenyl)pyridin-3-amine.
What is the SMILES notation for N-(2,4,6-trinitrophenyl)pyridin-3-amine?
The canonical SMILES for N-(2,4,6-trinitrophenyl)pyridin-3-amine is O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4,6-trinitrophenyl)pyridin-3-amine?
The InChIKey is NNFCFDYRIJDRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O6/c17-14(18)8-4-9(15(19)20)11(10(5-8)16(21)22)13-7-2-1-3-12-6-7/h1-6,13H.
What are the key properties of N-(2,4,6-trinitrophenyl)pyridin-3-amine?
N-(2,4,6-trinitrophenyl)pyridin-3-amine has a molecular weight of 305.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trinitrophenyl)pyridin-3-amine is sourced from PubChem (CID 3719952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).