N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C9H8BrF5N2 — CID 107490362

IUPACN-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESFc1cnc(N(CCBr)CC(F)(F)F)c(F)c1
InChIInChI=1S/C9H8BrF5N2/c10-1-2-17(5-9(13,14)15)8-7(12)3-6(11)4-16-8/h3-4H,1-2,5H2
InChIKeyYQKIMWRTIWEEID-UHFFFAOYSA-N
MW319.07 g/mol
LogP3.12
Rot. Bonds4

About N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine

N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 107490362) has the molecular formula C9H8BrF5N2 and a molecular weight of 319.07 g/mol. Its IUPAC name is N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID107490362
Molecular FormulaC9H8BrF5N2
Molecular Weight319.07 g/mol
Exact Mass317.98
IUPAC NameN-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESFc1cnc(N(CCBr)CC(F)(F)F)c(F)c1
InChIInChI=1S/C9H8BrF5N2/c10-1-2-17(5-9(13,14)15)8-7(12)3-6(11)4-16-8/h3-4H,1-2,5H2
InChIKeyYQKIMWRTIWEEID-UHFFFAOYSA-N
XLogP3.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.07
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine 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

5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 107490379
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490223
N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107492981
5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490631
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722
N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 112676470
N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine
CID 112676585

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 107490362) is N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine is Fc1cnc(N(CCBr)CC(F)(F)F)c(F)c1.
What is the InChIKey of N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is YQKIMWRTIWEEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF5N2/c10-1-2-17(5-9(13,14)15)8-7(12)3-6(11)4-16-8/h3-4H,1-2,5H2.
What are the key properties of N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 319.07 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 107490362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).