5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C13H9Br2F3N2 — CID 106796056

IUPAC5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCc1ccccc1Br
InChIInChI=1S/C13H9Br2F3N2/c14-9-5-10(13(16,17)18)12(20-7-9)19-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H,19,20)
InChIKeyRKGMCGCPJZKYLH-UHFFFAOYSA-N
MW410.03 g/mol
LogP5.24
Rot. Bonds3

About 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796056) has the molecular formula C13H9Br2F3N2 and a molecular weight of 410.03 g/mol. Its IUPAC name is 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796056
Molecular FormulaC13H9Br2F3N2
Molecular Weight410.03 g/mol
Exact Mass407.91
IUPAC Name5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCc1ccccc1Br
InChIInChI=1S/C13H9Br2F3N2/c14-9-5-10(13(16,17)18)12(20-7-9)19-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H,19,20)
InChIKeyRKGMCGCPJZKYLH-UHFFFAOYSA-N
XLogP5.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.03
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61402525
5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796139
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796427
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 12611962
4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106382038
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106795988
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106796056) is 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCc1ccccc1Br.
What is the InChIKey of 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RKGMCGCPJZKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F3N2/c14-9-5-10(13(16,17)18)12(20-7-9)19-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H,19,20).
What are the key properties of 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 410.03 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).