3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine

C8H8BrF3N2 — CID 22000225

IUPAC3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1ncc(C(F)(F)F)cc1Br
InChIInChI=1S/C8H8BrF3N2/c1-14(2)7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,1-2H3
InChIKeyFUNDGOBXPPEITN-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.93
Rot. Bonds1

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

3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 22000225) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID22000225
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1ncc(C(F)(F)F)cc1Br
InChIInChI=1S/C8H8BrF3N2/c1-14(2)7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,1-2H3
InChIKeyFUNDGOBXPPEITN-UHFFFAOYSA-N
XLogP2.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 163894256
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 143494116
2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine
CID 153310708
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
CID 71627827
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
2-bromo-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 133080839
N,N,3-trimethyl-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 134417261
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
N,N-dimethyl-5-(trifluoromethyl)pyridazin-3-amine
CID 133062497
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine (CID 22000225) is 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine is CN(C)c1ncc(C(F)(F)F)cc1Br.
What is the InChIKey of 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FUNDGOBXPPEITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c1-14(2)7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,1-2H3.
What are the key properties of 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 269.06 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 22000225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).