5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline

C14H12BrF3N2 — CID 107286240

IUPAC5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2cc(Br)ccc2C(F)(F)F)cn1
InChIInChI=1S/C14H12BrF3N2/c1-9-2-3-10(7-19-9)8-20-13-6-11(15)4-5-12(13)14(16,17)18/h2-7,20H,8H2,1H3
InChIKeyQPQHRELWKBYNBY-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.78
Rot. Bonds3

About 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline

5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 107286240) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline
PubChem CID107286240
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Name5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2cc(Br)ccc2C(F)(F)F)cn1
InChIInChI=1S/C14H12BrF3N2/c1-9-2-3-10(7-19-9)8-20-13-6-11(15)4-5-12(13)14(16,17)18/h2-7,20H,8H2,1H3
InChIKeyQPQHRELWKBYNBY-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Bromoquinoline
CID 521259
Nomelidine
CID 5378630
Norzimelidine
CID 6437872
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
Quinoline, 7-bromo-4-(4-diethylamino-1-methyl)butylamino-
CID 3031733
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214
8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine
CID 25235287
N-(3-bromophenyl)quinolin-4-amine
CID 5328019
2-[(E)-2-(4-bromophenyl)ethenyl]-1-methylpyridinium
CID 5926345
cis-[3-(2-Bromo-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 12930058
cis-[3-(3-Bromo-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 20478947
2-(4-Bromophenyl)pyridine
CID 1515237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline (CID 107286240) is 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline is Cc1ccc(CNc2cc(Br)ccc2C(F)(F)F)cn1.
What is the InChIKey of 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is QPQHRELWKBYNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c1-9-2-3-10(7-19-9)8-20-13-6-11(15)4-5-12(13)14(16,17)18/h2-7,20H,8H2,1H3.
What are the key properties of 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline?
5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 345.16 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).