N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide

C8H5ClF3N3O3 — CID 113456785

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF3N3O3/c9-5-2-1-4(15(17)18)7(13-5)14-6(16)3-8(10,11)12/h1-2H,3H2,(H,13,14,16)
InChIKeySFVAUYWPLGLUDX-UHFFFAOYSA-N
MW283.59 g/mol
LogP2.53
Rot. Bonds3

About N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide

N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide (PubChem CID 113456785) has the molecular formula C8H5ClF3N3O3 and a molecular weight of 283.59 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
PubChem CID113456785
Molecular FormulaC8H5ClF3N3O3
Molecular Weight283.59 g/mol
Exact Mass283.00
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF3N3O3/c9-5-2-1-4(15(17)18)7(13-5)14-6(16)3-8(10,11)12/h1-2H,3H2,(H,13,14,16)
InChIKeySFVAUYWPLGLUDX-UHFFFAOYSA-N
XLogP2.53
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.59
LogP ≤ 52.53
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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Related Compounds

N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 104820323
N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229
N-(6-chloro-3-nitro-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 104820352
N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide
CID 104820473
N-(6-chloro-3-nitro-2-pyridinyl)-4-ethoxybutanamide
CID 104820471
N-(6-chloro-3-nitro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 104820358
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)but-2-ynamide
CID 107996143
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 113456796
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106178690
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide (CID 113456785) is N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide?
The InChIKey is SFVAUYWPLGLUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O3/c9-5-2-1-4(15(17)18)7(13-5)14-6(16)3-8(10,11)12/h1-2H,3H2,(H,13,14,16).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide?
N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide has a molecular weight of 283.59 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 113456785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).