5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C11H9Cl2F3N2O — CID 54984054

IUPAC5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(c1cnc(Cl)c(Cl)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H9Cl2F3N2O/c12-8-3-6(4-17-9(8)13)10(19)18(7-1-2-7)5-11(14,15)16/h3-4,7H,1-2,5H2
InChIKeyQRODQXTZTPKTQB-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.56
Rot. Bonds3

About 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 54984054) has the molecular formula C11H9Cl2F3N2O and a molecular weight of 313.11 g/mol. Its IUPAC name is 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID54984054
Molecular FormulaC11H9Cl2F3N2O
Molecular Weight313.11 g/mol
Exact Mass312.00
IUPAC Name5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(c1cnc(Cl)c(Cl)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H9Cl2F3N2O/c12-8-3-6(4-17-9(8)13)10(19)18(7-1-2-7)5-11(14,15)16/h3-4,7H,1-2,5H2
InChIKeyQRODQXTZTPKTQB-UHFFFAOYSA-N
XLogP3.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 54984054) is 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is O=C(c1cnc(Cl)c(Cl)c1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is QRODQXTZTPKTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3N2O/c12-8-3-6(4-17-9(8)13)10(19)18(7-1-2-7)5-11(14,15)16/h3-4,7H,1-2,5H2.
What are the key properties of 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 313.11 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 54984054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).