3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C9H10BrF3N2 — CID 163894256

IUPAC3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(C)c1ncc(C(F)(F)F)cc1Br
InChIInChI=1S/C9H10BrF3N2/c1-3-15(2)8-7(10)4-6(5-14-8)9(11,12)13/h4-5H,3H2,1-2H3
InChIKeyQEFDIBQZZSVRRD-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.32
Rot. Bonds2

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

3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 163894256) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID163894256
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(C)c1ncc(C(F)(F)F)cc1Br
InChIInChI=1S/C9H10BrF3N2/c1-3-15(2)8-7(10)4-6(5-14-8)9(11,12)13/h4-5H,3H2,1-2H3
InChIKeyQEFDIBQZZSVRRD-UHFFFAOYSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 22000225
3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 143494116
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
2-bromo-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 133080839
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 95345894
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]propanenitrile
CID 54992825
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanoic acid
CID 62852767
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79114166
N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60875723

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 163894256) is 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CCN(C)c1ncc(C(F)(F)F)cc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QEFDIBQZZSVRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c1-3-15(2)8-7(10)4-6(5-14-8)9(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 283.09 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 163894256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).