6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C12H8Br2F3N3 — CID 90237738

IUPAC6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(CBr)cc(Br)n2)c1
InChIInChI=1S/C12H8Br2F3N3/c13-6-7-3-9(14)19-11(4-7)20-10-5-8(1-2-18-10)12(15,16)17/h1-5H,6H2,(H,18,19,20)
InChIKeyQRGFMBZGLVHTHE-UHFFFAOYSA-N
MW411.02 g/mol
LogP4.90
Rot. Bonds3

About 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 90237738) has the molecular formula C12H8Br2F3N3 and a molecular weight of 411.02 g/mol. Its IUPAC name is 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID90237738
Molecular FormulaC12H8Br2F3N3
Molecular Weight411.02 g/mol
Exact Mass408.90
IUPAC Name6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(CBr)cc(Br)n2)c1
InChIInChI=1S/C12H8Br2F3N3/c13-6-7-3-9(14)19-11(4-7)20-10-5-8(1-2-18-10)12(15,16)17/h1-5H,6H2,(H,18,19,20)
InChIKeyQRGFMBZGLVHTHE-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.02
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90237804
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
4-methyl-6-(2H-triazol-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 118271576
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine
CID 177312580
6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
CID 137378416
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 103736559
N-(2-ethylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 103736545
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56948135
N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide
CID 144695801

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 90237738) is 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1ccnc(Nc2cc(CBr)cc(Br)n2)c1.
What is the InChIKey of 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is QRGFMBZGLVHTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2F3N3/c13-6-7-3-9(14)19-11(4-7)20-10-5-8(1-2-18-10)12(15,16)17/h1-5H,6H2,(H,18,19,20).
What are the key properties of 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 411.02 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 90237738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).