5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine

C7H5ClF3N3O2 — CID 135353112

IUPAC5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ncc(Cl)cc1NCC(F)(F)F
InChIInChI=1S/C7H5ClF3N3O2/c8-4-1-5(13-3-7(9,10)11)6(12-2-4)14(15)16/h1-2,13H,3H2
InChIKeyDBHDBNXKIKWMCG-UHFFFAOYSA-N
MW255.58 g/mol
LogP2.62
Rot. Bonds3

About 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine

5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine (PubChem CID 135353112) has the molecular formula C7H5ClF3N3O2 and a molecular weight of 255.58 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine
PubChem CID135353112
Molecular FormulaC7H5ClF3N3O2
Molecular Weight255.58 g/mol
Exact Mass255.00
IUPAC Name5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ncc(Cl)cc1NCC(F)(F)F
InChIInChI=1S/C7H5ClF3N3O2/c8-4-1-5(13-3-7(9,10)11)6(12-2-4)14(15)16/h1-2,13H,3H2
InChIKeyDBHDBNXKIKWMCG-UHFFFAOYSA-N
XLogP2.62
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.58
LogP ≤ 52.62
H-Bond Donors ≤ 51
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 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The IUPAC name of 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine (CID 135353112) is 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The canonical SMILES for 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine is O=[N+]([O-])c1ncc(Cl)cc1NCC(F)(F)F.
What is the InChIKey of 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The InChIKey is DBHDBNXKIKWMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O2/c8-4-1-5(13-3-7(9,10)11)6(12-2-4)14(15)16/h1-2,13H,3H2.
What are the key properties of 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine has a molecular weight of 255.58 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine is sourced from PubChem (CID 135353112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).