6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine

C12H8BrF3N2 — CID 102716854

IUPAC6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H8BrF3N2/c13-9-3-1-2-7(4-9)10-5-8(12(14,15)16)6-11(17)18-10/h1-6H,(H2,17,18)
InChIKeyRBYBFGQKEGYYDV-UHFFFAOYSA-N
MW317.11 g/mol
LogP4.11
Rot. Bonds1

About 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine

6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716854) has the molecular formula C12H8BrF3N2 and a molecular weight of 317.11 g/mol. Its IUPAC name is 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716854
Molecular FormulaC12H8BrF3N2
Molecular Weight317.11 g/mol
Exact Mass315.98
IUPAC Name6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H8BrF3N2/c13-9-3-1-2-7(4-9)10-5-8(12(14,15)16)6-11(17)18-10/h1-6H,(H2,17,18)
InChIKeyRBYBFGQKEGYYDV-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.11
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-bromophenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716853
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 57468745
2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 58513228
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
6-(2,6-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716908
4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine
CID 68876901
6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716550
6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716571
6-imidazo[1,2-a]pyridin-5-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102716937
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716854) is 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(-c2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RBYBFGQKEGYYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2/c13-9-3-1-2-7(4-9)10-5-8(12(14,15)16)6-11(17)18-10/h1-6H,(H2,17,18).
What are the key properties of 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine?
6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 317.11 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).