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

C11H9Cl2F3N2O — CID 54984139

IUPAC3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(c1nc(Cl)ccc1Cl)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H9Cl2F3N2O/c12-7-3-4-8(13)17-9(7)10(19)18(6-1-2-6)5-11(14,15)16/h3-4,6H,1-2,5H2
InChIKeyAPOLUUYPCNNZDZ-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.56
Rot. Bonds3

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

3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 54984139) has the molecular formula C11H9Cl2F3N2O and a molecular weight of 313.11 g/mol. Its IUPAC name is 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID54984139
Molecular FormulaC11H9Cl2F3N2O
Molecular Weight313.11 g/mol
Exact Mass312.00
IUPAC Name3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(c1nc(Cl)ccc1Cl)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H9Cl2F3N2O/c12-7-3-4-8(13)17-9(7)10(19)18(6-1-2-6)5-11(14,15)16/h3-4,6H,1-2,5H2
InChIKeyAPOLUUYPCNNZDZ-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 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 54984139) is 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is O=C(c1nc(Cl)ccc1Cl)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is APOLUUYPCNNZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3N2O/c12-7-3-4-8(13)17-9(7)10(19)18(6-1-2-6)5-11(14,15)16/h3-4,6H,1-2,5H2.
What are the key properties of 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-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 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 54984139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).