6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C8H6ClF3N2O2 — CID 81343163

IUPAC6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C8H6ClF3N2O2/c9-6-2-1-5(3-13-6)7(15)14-16-4-8(10,11)12/h1-3H,4H2,(H,14,15)
InChIKeyWPAGBNWWPOVBQS-UHFFFAOYSA-N
MW254.59 g/mol
LogP1.96
Rot. Bonds3

About 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 81343163) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID81343163
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C8H6ClF3N2O2/c9-6-2-1-5(3-13-6)7(15)14-16-4-8(10,11)12/h1-3H,4H2,(H,14,15)
InChIKeyWPAGBNWWPOVBQS-UHFFFAOYSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81340039
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190
5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 81343082
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2445173
4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81342910
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
CID 81344043
3-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670517
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
3-(6-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 55267358
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 81343163) is 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NOCC(F)(F)F)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is WPAGBNWWPOVBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-6-2-1-5(3-13-6)7(15)14-16-4-8(10,11)12/h1-3H,4H2,(H,14,15).
What are the key properties of 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 254.59 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 81343163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).