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

C7H5ClF3N3O2 — CID 43152709

IUPAC6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCC(F)(F)F
InChIInChI=1S/C7H5ClF3N3O2/c8-5-2-1-4(14(15)16)6(13-5)12-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyYVEZHPDYYGNEOB-UHFFFAOYSA-N
MW255.58 g/mol
LogP2.62
Rot. Bonds3

About 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine

6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 43152709) has the molecular formula C7H5ClF3N3O2 and a molecular weight of 255.58 g/mol. Its IUPAC name is 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID43152709
Molecular FormulaC7H5ClF3N3O2
Molecular Weight255.58 g/mol
Exact Mass255.00
IUPAC Name6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCC(F)(F)F
InChIInChI=1S/C7H5ClF3N3O2/c8-5-2-1-4(14(15)16)6(13-5)12-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyYVEZHPDYYGNEOB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 43152709) is 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1NCC(F)(F)F.
What is the InChIKey of 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is YVEZHPDYYGNEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O2/c8-5-2-1-4(14(15)16)6(13-5)12-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-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 6-chloro-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 43152709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).