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

C11H7N5O6 — CID 3089122

IUPACN-(2,4,6-trinitrophenyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7N5O6/c17-14(18)7-5-8(15(19)20)11(9(6-7)16(21)22)13-10-3-1-2-4-12-10/h1-6H,(H,12,13)
InChIKeyDIPBIKKKLNWSEW-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.55
Rot. Bonds5

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

N-(2,4,6-trinitrophenyl)pyridin-2-amine (PubChem CID 3089122) has the molecular formula C11H7N5O6 and a molecular weight of 305.21 g/mol. Its IUPAC name is N-(2,4,6-trinitrophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,4,6-trinitrophenyl)pyridin-2-amine
PubChem CID3089122
Molecular FormulaC11H7N5O6
Molecular Weight305.21 g/mol
Exact Mass305.04
IUPAC NameN-(2,4,6-trinitrophenyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7N5O6/c17-14(18)7-5-8(15(19)20)11(9(6-7)16(21)22)13-10-3-1-2-4-12-10/h1-6H,(H,12,13)
InChIKeyDIPBIKKKLNWSEW-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trinitrophenyl)pyridin-2-amine?
The IUPAC name of N-(2,4,6-trinitrophenyl)pyridin-2-amine (CID 3089122) is N-(2,4,6-trinitrophenyl)pyridin-2-amine.
What is the SMILES notation for N-(2,4,6-trinitrophenyl)pyridin-2-amine?
The canonical SMILES for N-(2,4,6-trinitrophenyl)pyridin-2-amine is O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4,6-trinitrophenyl)pyridin-2-amine?
The InChIKey is DIPBIKKKLNWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O6/c17-14(18)7-5-8(15(19)20)11(9(6-7)16(21)22)13-10-3-1-2-4-12-10/h1-6H,(H,12,13).
What are the key properties of N-(2,4,6-trinitrophenyl)pyridin-2-amine?
N-(2,4,6-trinitrophenyl)pyridin-2-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-2-amine is sourced from PubChem (CID 3089122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).