6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide

C10H10ClF3N2O — CID 155585851

IUPAC6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C10H10ClF3N2O/c1-5(2)15-9(17)7-4-3-6(8(11)16-7)10(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyKPUNTDNEJQFPKD-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.89
Rot. Bonds2

About 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide

6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155585851) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155585851
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C10H10ClF3N2O/c1-5(2)15-9(17)7-4-3-6(8(11)16-7)10(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyKPUNTDNEJQFPKD-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 155585851) is 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide is CC(C)NC(=O)c1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KPUNTDNEJQFPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-5(2)15-9(17)7-4-3-6(8(11)16-7)10(12,13)14/h3-5H,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 266.65 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155585851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).