4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine

C8H10BrF3N2 — CID 172698370

IUPAC4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine
SMILESCNC1(C)NC=CC(Br)=C1C(F)(F)F
InChIInChI=1S/C8H10BrF3N2/c1-7(13-2)6(8(10,11)12)5(9)3-4-14-7/h3-4,13-14H,1-2H3
InChIKeyCPXJINHIBPIWMO-UHFFFAOYSA-N
MW271.08 g/mol
LogP2.25
Rot. Bonds1

About 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine

4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine (PubChem CID 172698370) has the molecular formula C8H10BrF3N2 and a molecular weight of 271.08 g/mol. Its IUPAC name is 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine
PubChem CID172698370
Molecular FormulaC8H10BrF3N2
Molecular Weight271.08 g/mol
Exact Mass270.00
IUPAC Name4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine
SMILESCNC1(C)NC=CC(Br)=C1C(F)(F)F
InChIInChI=1S/C8H10BrF3N2/c1-7(13-2)6(8(10,11)12)5(9)3-4-14-7/h3-4,13-14H,1-2H3
InChIKeyCPXJINHIBPIWMO-UHFFFAOYSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
CID 154271649
2-bromo-2,5-dimethyl-3-(trifluoromethyl)-1H-pyridine
CID 163218583
2-methyl-3-(trifluoromethyl)-1H-pyridin-2-amine
CID 172777606
2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine
CID 174890358
4-Bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine
CID 162620356

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine?
The IUPAC name of 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine (CID 172698370) is 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine.
What is the SMILES notation for 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine?
The canonical SMILES for 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine is CNC1(C)NC=CC(Br)=C1C(F)(F)F.
What is the InChIKey of 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine?
The InChIKey is CPXJINHIBPIWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2/c1-7(13-2)6(8(10,11)12)5(9)3-4-14-7/h3-4,13-14H,1-2H3.
What are the key properties of 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine?
4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine has a molecular weight of 271.08 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-amine is sourced from PubChem (CID 172698370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).