6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide

C10H6ClF3N4O2 — CID 165177414

IUPAC6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nnc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)o1
InChIInChI=1S/C10H6ClF3N4O2/c1-4-17-18-9(20-4)16-8(19)5-2-3-6(11)15-7(5)10(12,13)14/h2-3H,1H3,(H,16,18,19)
InChIKeyLCFWNDHFLXHVDV-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.70
Rot. Bonds2

About 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide

6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 165177414) has the molecular formula C10H6ClF3N4O2 and a molecular weight of 306.63 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID165177414
Molecular FormulaC10H6ClF3N4O2
Molecular Weight306.63 g/mol
Exact Mass306.01
IUPAC Name6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nnc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)o1
InChIInChI=1S/C10H6ClF3N4O2/c1-4-17-18-9(20-4)16-8(19)5-2-3-6(11)15-7(5)10(12,13)14/h2-3H,1H3,(H,16,18,19)
InChIKeyLCFWNDHFLXHVDV-UHFFFAOYSA-N
XLogP2.70
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 165177414) is 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1nnc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)o1.
What is the InChIKey of 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LCFWNDHFLXHVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4O2/c1-4-17-18-9(20-4)16-8(19)5-2-3-6(11)15-7(5)10(12,13)14/h2-3H,1H3,(H,16,18,19).
What are the key properties of 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide?
6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 306.63 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 165177414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).