3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine

C9H10BrF3N2O — CID 63828444

IUPAC3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
SMILESFC(F)(F)COCCNc1ncccc1Br
InChIInChI=1S/C9H10BrF3N2O/c10-7-2-1-3-14-8(7)15-4-5-16-6-9(11,12)13/h1-3H,4-6H2,(H,14,15)
InChIKeyJXJMBHGSWUVYPO-UHFFFAOYSA-N
MW299.09 g/mol
LogP2.83
Rot. Bonds5

About 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine

3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine (PubChem CID 63828444) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
PubChem CID63828444
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
SMILESFC(F)(F)COCCNc1ncccc1Br
InChIInChI=1S/C9H10BrF3N2O/c10-7-2-1-3-14-8(7)15-4-5-16-6-9(11,12)13/h1-3H,4-6H2,(H,14,15)
InChIKeyJXJMBHGSWUVYPO-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103725412
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 83064425
N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 55242565
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
3-bromo-N-(2-phenylsulfanylethyl)pyridin-2-amine
CID 61375421
2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]quinazoline-2,4-diamine
CID 80819151
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine
CID 106242892
N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62642737
5-fluoro-2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
CID 80846653

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine (CID 63828444) is 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine is FC(F)(F)COCCNc1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The InChIKey is JXJMBHGSWUVYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c10-7-2-1-3-14-8(7)15-4-5-16-6-9(11,12)13/h1-3H,4-6H2,(H,14,15).
What are the key properties of 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine has a molecular weight of 299.09 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 63828444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).