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

C11H11Cl2F3N2O — CID 113228638

IUPAC2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H11Cl2F3N2O/c1-6(2)18(5-11(14,15)16)10(19)7-3-4-8(12)17-9(7)13/h3-4,6H,5H2,1-2H3
InChIKeyHDVCQRLKHKHUOA-UHFFFAOYSA-N
MW315.12 g/mol
LogP3.80
Rot. Bonds3

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

2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 113228638) has the molecular formula C11H11Cl2F3N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID113228638
Molecular FormulaC11H11Cl2F3N2O
Molecular Weight315.12 g/mol
Exact Mass314.02
IUPAC Name2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H11Cl2F3N2O/c1-6(2)18(5-11(14,15)16)10(19)7-3-4-8(12)17-9(7)13/h3-4,6H,5H2,1-2H3
InChIKeyHDVCQRLKHKHUOA-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 113228634
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 91421539
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742
2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62235512
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180458
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
1-(2,6-dichloro-3-pyridinyl)-2,2,2-trifluoroethanone
CID 71301905
3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 60716732
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922532
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792993

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 113228638) is 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is HDVCQRLKHKHUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2O/c1-6(2)18(5-11(14,15)16)10(19)7-3-4-8(12)17-9(7)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 315.12 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 113228638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).