5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine

C10H12BrF3N2 — CID 115774199

IUPAC5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
SMILESCc1cc(NCCCC(F)(F)F)ncc1Br
InChIInChI=1S/C10H12BrF3N2/c1-7-5-9(16-6-8(7)11)15-4-2-3-10(12,13)14/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyKQGTUFCFVVAJJX-UHFFFAOYSA-N
MW297.12 g/mol
LogP3.91
Rot. Bonds4

About 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine

5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine (PubChem CID 115774199) has the molecular formula C10H12BrF3N2 and a molecular weight of 297.12 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
PubChem CID115774199
Molecular FormulaC10H12BrF3N2
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC Name5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
SMILESCc1cc(NCCCC(F)(F)F)ncc1Br
InChIInChI=1S/C10H12BrF3N2/c1-7-5-9(16-6-8(7)11)15-4-2-3-10(12,13)14/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyKQGTUFCFVVAJJX-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320
5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
CID 114869393
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
CID 157426912
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine (CID 115774199) is 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine is Cc1cc(NCCCC(F)(F)F)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine?
The InChIKey is KQGTUFCFVVAJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2/c1-7-5-9(16-6-8(7)11)15-4-2-3-10(12,13)14/h5-6H,2-4H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine?
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine has a molecular weight of 297.12 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine is sourced from PubChem (CID 115774199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).