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

C11H12BrF3N2O — CID 103889742

IUPAC6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cccc(Br)n1
InChIInChI=1S/C11H12BrF3N2O/c1-7(2)17(6-11(13,14)15)10(18)8-4-3-5-9(12)16-8/h3-5,7H,6H2,1-2H3
InChIKeyCJBRLUARASRFEL-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.26
Rot. Bonds3

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

6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 103889742) has the molecular formula C11H12BrF3N2O and a molecular weight of 325.13 g/mol. Its IUPAC name is 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID103889742
Molecular FormulaC11H12BrF3N2O
Molecular Weight325.13 g/mol
Exact Mass324.01
IUPAC Name6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cccc(Br)n1
InChIInChI=1S/C11H12BrF3N2O/c1-7(2)17(6-11(13,14)15)10(18)8-4-3-5-9(12)16-8/h3-5,7H,6H2,1-2H3
InChIKeyCJBRLUARASRFEL-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.26
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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Related Compounds

6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889772
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377464
2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 113228638
6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889770
6-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62238082
1-(6-bromo-2-pyridinyl)-3,3-difluorobutan-1-one
CID 118670699
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 112706112
6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
CID 103916984
6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 114037773
3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 103889742) is 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is CJBRLUARASRFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O/c1-7(2)17(6-11(13,14)15)10(18)8-4-3-5-9(12)16-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 325.13 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).