5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine

C7H6BrF3N2O — CID 131053168

IUPAC5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine
SMILESCc1nc(OC(F)(F)F)c(N)cc1Br
InChIInChI=1S/C7H6BrF3N2O/c1-3-4(8)2-5(12)6(13-3)14-7(9,10)11/h2H,12H2,1H3
InChIKeyDDRBXRRCWDMSAK-UHFFFAOYSA-N
MW271.04 g/mol
LogP2.63
Rot. Bonds1

About 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine

5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine (PubChem CID 131053168) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine
PubChem CID131053168
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine
SMILESCc1nc(OC(F)(F)F)c(N)cc1Br
InChIInChI=1S/C7H6BrF3N2O/c1-3-4(8)2-5(12)6(13-3)14-7(9,10)11/h2H,12H2,1H3
InChIKeyDDRBXRRCWDMSAK-UHFFFAOYSA-N
XLogP2.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine (CID 131053168) is 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine is Cc1nc(OC(F)(F)F)c(N)cc1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is DDRBXRRCWDMSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c1-3-4(8)2-5(12)6(13-3)14-7(9,10)11/h2H,12H2,1H3.
What are the key properties of 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine?
5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 271.04 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 131053168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).