3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine

C13H8BrF5N2O — CID 164562860

IUPAC3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)Oc1ccc(Nc2nc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C13H8BrF5N2O/c14-9-5-6-10(13(17,18)19)21-11(9)20-7-1-3-8(4-2-7)22-12(15)16/h1-6,12H,(H,20,21)
InChIKeyVBPAGZSPEVCFKN-UHFFFAOYSA-N
MW383.11 g/mol
LogP5.21
Rot. Bonds4

About 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine

3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 164562860) has the molecular formula C13H8BrF5N2O and a molecular weight of 383.11 g/mol. Its IUPAC name is 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID164562860
Molecular FormulaC13H8BrF5N2O
Molecular Weight383.11 g/mol
Exact Mass381.97
IUPAC Name3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)Oc1ccc(Nc2nc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C13H8BrF5N2O/c14-9-5-6-10(13(17,18)19)21-11(9)20-7-1-3-8(4-2-7)22-12(15)16/h1-6,12H,(H,20,21)
InChIKeyVBPAGZSPEVCFKN-UHFFFAOYSA-N
XLogP5.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.11
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine (CID 164562860) is 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)Oc1ccc(Nc2nc(C(F)(F)F)ccc2Br)cc1.
What is the InChIKey of 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VBPAGZSPEVCFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF5N2O/c14-9-5-6-10(13(17,18)19)21-11(9)20-7-1-3-8(4-2-7)22-12(15)16/h1-6,12H,(H,20,21).
What are the key properties of 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine?
3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 383.11 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(difluoromethoxy)phenyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 164562860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).