5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine

C12H14BrF3N2 — CID 106795899

IUPAC5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NC1CCCCC1
InChIInChI=1S/C12H14BrF3N2/c13-8-6-10(12(14,15)16)11(17-7-8)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18)
InChIKeyBWODGAPKAPEQPP-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.61
Rot. Bonds2

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

5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795899) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106795899
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NC1CCCCC1
InChIInChI=1S/C12H14BrF3N2/c13-8-6-10(12(14,15)16)11(17-7-8)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18)
InChIKeyBWODGAPKAPEQPP-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine (CID 106795899) is 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NC1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BWODGAPKAPEQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2/c13-8-6-10(12(14,15)16)11(17-7-8)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18).
What are the key properties of 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 323.16 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).