6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C9H8ClF3N2O2 — CID 172609889

IUPAC6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1nc(Cl)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O2/c1-17-8-5(2-3-6(10)15-8)7(16)14-4-9(11,12)13/h2-3H,4H2,1H3,(H,14,16)
InChIKeyZUWIWDYWEPCMMY-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.04
Rot. Bonds3

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

6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 172609889) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID172609889
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1nc(Cl)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O2/c1-17-8-5(2-3-6(10)15-8)7(16)14-4-9(11,12)13/h2-3H,4H2,1H3,(H,14,16)
InChIKeyZUWIWDYWEPCMMY-UHFFFAOYSA-N
XLogP2.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 172609889) is 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is COc1nc(Cl)ccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is ZUWIWDYWEPCMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c1-17-8-5(2-3-6(10)15-8)7(16)14-4-9(11,12)13/h2-3H,4H2,1H3,(H,14,16).
What are the key properties of 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 268.62 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172609889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).