5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine

C6H6BrF3N2 — CID 131970554

IUPAC5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESNC1NC=C(Br)C=C1C(F)(F)F
InChIInChI=1S/C6H6BrF3N2/c7-3-1-4(6(8,9)10)5(11)12-2-3/h1-2,5,12H,11H2
InChIKeyVZCBCFIPUGHFRS-UHFFFAOYSA-N
MW243.03 g/mol
LogP1.60
Rot. Bonds

About 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine

5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine (PubChem CID 131970554) has the molecular formula C6H6BrF3N2 and a molecular weight of 243.03 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
PubChem CID131970554
Molecular FormulaC6H6BrF3N2
Molecular Weight243.03 g/mol
Exact Mass241.97
IUPAC Name5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESNC1NC=C(Br)C=C1C(F)(F)F
InChIInChI=1S/C6H6BrF3N2/c7-3-1-4(6(8,9)10)5(11)12-2-3/h1-2,5,12H,11H2
InChIKeyVZCBCFIPUGHFRS-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Trifluoromethyl-1,2-dihydro-pyridin-2-ylamine
CID 59443902
3-Bromo-4-(trifluoromethyl)-1,2-dihydropyridin-6-amine
CID 118352470
5-Bromo-3-fluoro-1,2-dihydropyridin-2-amine
CID 122497258
5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine
CID 151534677
5-Bromo-3-methyl-1,2-dihydropyridin-2-amine
CID 68729459

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine (CID 131970554) is 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine is NC1NC=C(Br)C=C1C(F)(F)F.
What is the InChIKey of 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is VZCBCFIPUGHFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2/c7-3-1-4(6(8,9)10)5(11)12-2-3/h1-2,5,12H,11H2.
What are the key properties of 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine has a molecular weight of 243.03 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 131970554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).