3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine

C7H8BrF3N2 — CID 150081505

IUPAC3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine
SMILESCN1C=C(C(F)(F)F)C=C(Br)C1N
InChIInChI=1S/C7H8BrF3N2/c1-13-3-4(7(9,10)11)2-5(8)6(13)12/h2-3,6H,12H2,1H3
InChIKeyDRIZUQJABXEXTG-UHFFFAOYSA-N
MW257.05 g/mol
LogP1.94
Rot. Bonds

About 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine

3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine (PubChem CID 150081505) has the molecular formula C7H8BrF3N2 and a molecular weight of 257.05 g/mol. Its IUPAC name is 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine
PubChem CID150081505
Molecular FormulaC7H8BrF3N2
Molecular Weight257.05 g/mol
Exact Mass255.98
IUPAC Name3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine
SMILESCN1C=C(C(F)(F)F)C=C(Br)C1N
InChIInChI=1S/C7H8BrF3N2/c1-13-3-4(7(9,10)11)2-5(8)6(13)12/h2-3,6H,12H2,1H3
InChIKeyDRIZUQJABXEXTG-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.05
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 89073813
3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine
CID 141286895
1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine
CID 129934989

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine?
The IUPAC name of 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine (CID 150081505) is 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine.
What is the SMILES notation for 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine?
The canonical SMILES for 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine is CN1C=C(C(F)(F)F)C=C(Br)C1N.
What is the InChIKey of 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine?
The InChIKey is DRIZUQJABXEXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N2/c1-13-3-4(7(9,10)11)2-5(8)6(13)12/h2-3,6H,12H2,1H3.
What are the key properties of 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine?
3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine has a molecular weight of 257.05 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine is sourced from PubChem (CID 150081505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).