2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide

C14H10ClF3N4O2 — CID 138375796

IUPAC2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
SMILES[H]/N=C(/NC(=O)c1cc(Cl)nc(OCC(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H10ClF3N4O2/c15-10-5-9(6-11(21-10)24-7-14(16,17)18)13(23)22-12(19)8-1-3-20-4-2-8/h1-6H,7H2,(H2,19,22,23)
InChIKeyXBNLFIKUIYWYPH-UHFFFAOYSA-N
MW358.71 g/mol
LogP2.83
Rot. Bonds4

About 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide

2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide (PubChem CID 138375796) has the molecular formula C14H10ClF3N4O2 and a molecular weight of 358.71 g/mol. Its IUPAC name is 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
PubChem CID138375796
Molecular FormulaC14H10ClF3N4O2
Molecular Weight358.71 g/mol
Exact Mass358.04
IUPAC Name2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
SMILES[H]/N=C(/NC(=O)c1cc(Cl)nc(OCC(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H10ClF3N4O2/c15-10-5-9(6-11(21-10)24-7-14(16,17)18)13(23)22-12(19)8-1-3-20-4-2-8/h1-6H,7H2,(H2,19,22,23)
InChIKeyXBNLFIKUIYWYPH-UHFFFAOYSA-N
XLogP2.83
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.71
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)benzenecarboximidoyl]pyridine-3-carboxamide
CID 171130037
N-(benzenecarboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146674404
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine
CID 12760119
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
pyridin-2-ylmethyl 2-(2,2,2-trifluoroethoxy)pyridine-4-carboxylate
CID 75373401
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
CID 136527634
2-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 63834851
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide (CID 138375796) is 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide is [H]/N=C(/NC(=O)c1cc(Cl)nc(OCC(F)(F)F)c1)c1ccncc1.
What is the InChIKey of 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The InChIKey is XBNLFIKUIYWYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O2/c15-10-5-9(6-11(21-10)24-7-14(16,17)18)13(23)22-12(19)8-1-3-20-4-2-8/h1-6H,7H2,(H2,19,22,23).
What are the key properties of 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide has a molecular weight of 358.71 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridine-4-carboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide is sourced from PubChem (CID 138375796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).