5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine

C14H20BrF3N2 — CID 106796309

IUPAC5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCCCNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H20BrF3N2/c1-2-3-4-5-6-7-8-19-13-12(14(16,17)18)9-11(15)10-20-13/h9-10H,2-8H2,1H3,(H,19,20)
InChIKeyGBHOEEWOENKQKC-UHFFFAOYSA-N
MW353.23 g/mol
LogP5.64
Rot. Bonds8

About 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796309) has the molecular formula C14H20BrF3N2 and a molecular weight of 353.23 g/mol. Its IUPAC name is 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796309
Molecular FormulaC14H20BrF3N2
Molecular Weight353.23 g/mol
Exact Mass352.08
IUPAC Name5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCCCNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H20BrF3N2/c1-2-3-4-5-6-7-8-19-13-12(14(16,17)18)9-11(15)10-20-13/h9-10H,2-8H2,1H3,(H,19,20)
InChIKeyGBHOEEWOENKQKC-UHFFFAOYSA-N
XLogP5.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.23
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796286
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine
CID 142246876
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796222
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide
CID 106338653
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine (CID 106796309) is 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine is CCCCCCCCNc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GBHOEEWOENKQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF3N2/c1-2-3-4-5-6-7-8-19-13-12(14(16,17)18)9-11(15)10-20-13/h9-10H,2-8H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 353.23 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).