N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine

C8H8F3N3O2 — CID 2727273

IUPACN,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-13(2)7-6(8(9,10)11)3-5(4-12-7)14(15)16/h3-4H,1-2H3
InChIKeyCJDOYGOANMFTGB-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.07
Rot. Bonds2

About N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine

N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 2727273) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine
PubChem CID2727273
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC NameN,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-13(2)7-6(8(9,10)11)3-5(4-12-7)14(15)16/h3-4H,1-2H3
InChIKeyCJDOYGOANMFTGB-UHFFFAOYSA-N
XLogP2.07
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine (CID 2727273) is N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine is CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CJDOYGOANMFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-13(2)7-6(8(9,10)11)3-5(4-12-7)14(15)16/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine?
N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 235.16 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2727273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).