5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine

C13H7BrF6N2 — CID 153466466

IUPAC5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1Br
InChIInChI=1S/C13H7BrF6N2/c14-10-3-6(5-22-11(10)21)8-2-1-7(12(15,16)17)4-9(8)13(18,19)20/h1-5H,(H2,21,22)
InChIKeyFCSYKMKDENSJMD-UHFFFAOYSA-N
MW385.11 g/mol
LogP5.13
Rot. Bonds1

About 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine

5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine (PubChem CID 153466466) has the molecular formula C13H7BrF6N2 and a molecular weight of 385.11 g/mol. Its IUPAC name is 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine.

Molecular Properties

Compound Name5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine
PubChem CID153466466
Molecular FormulaC13H7BrF6N2
Molecular Weight385.11 g/mol
Exact Mass383.97
IUPAC Name5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1Br
InChIInChI=1S/C13H7BrF6N2/c14-10-3-6(5-22-11(10)21)8-2-1-7(12(15,16)17)4-9(8)13(18,19)20/h1-5H,(H2,21,22)
InChIKeyFCSYKMKDENSJMD-UHFFFAOYSA-N
XLogP5.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.11
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Bromo-isoquinolin-1-yl)-guanidine
CID 44339232
3-Bromo-5-(trifluoromethyl)pyridin-2-amine
CID 13064155
5-Bromo-3-(trifluoromethyl)pyridin-2-amine
CID 20525383
4-Bromo-1-isoquinolinamine
CID 311870
5-(2,4-Difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 155544170
3-[3-(Aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine
CID 155562376
3-Bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine
CID 135293560
5-[3-(Trifluoromethyl)phenyl]pyridin-2-amine
CID 10243267
5-Bromo-3-(difluoromethyl)pyridin-2-amine
CID 90285441
4-Bromo-5,6,7,8-tetrahydro-isoquinolin-1-ylamine
CID 102594452
5-Bromo-3-(pyridin-3-yl)pyridin-2-amine
CID 119084821
4-Bromo-7-(trifluoromethyl)isoquinoline
CID 131699987

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine?
The IUPAC name of 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine (CID 153466466) is 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine.
What is the SMILES notation for 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine?
The canonical SMILES for 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine is Nc1ncc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1Br.
What is the InChIKey of 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine?
The InChIKey is FCSYKMKDENSJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF6N2/c14-10-3-6(5-22-11(10)21)8-2-1-7(12(15,16)17)4-9(8)13(18,19)20/h1-5H,(H2,21,22).
What are the key properties of 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine?
5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine has a molecular weight of 385.11 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(trifluoromethyl)phenyl]-3-bromopyridin-2-amine is sourced from PubChem (CID 153466466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).