5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine

C10H12BrF3N2 — CID 157426912

IUPAC5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
SMILESCC[C@H](Nc1cc(C)c(Br)cn1)C(F)(F)F
InChIInChI=1S/C10H12BrF3N2/c1-3-8(10(12,13)14)16-9-4-6(2)7(11)5-15-9/h4-5,8H,3H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyBQBJGZBGMVOPRH-QMMMGPOBSA-N
MW297.12 g/mol
LogP3.91
Rot. Bonds3

About 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine

5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine (PubChem CID 157426912) has the molecular formula C10H12BrF3N2 and a molecular weight of 297.12 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
PubChem CID157426912
Molecular FormulaC10H12BrF3N2
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC Name5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
SMILESCC[C@H](Nc1cc(C)c(Br)cn1)C(F)(F)F
InChIInChI=1S/C10H12BrF3N2/c1-3-8(10(12,13)14)16-9-4-6(2)7(11)5-15-9/h4-5,8H,3H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyBQBJGZBGMVOPRH-QMMMGPOBSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine with MolForge

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Related Compounds

5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine (CID 157426912) is 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine is CC[C@H](Nc1cc(C)c(Br)cn1)C(F)(F)F.
What is the InChIKey of 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine?
The InChIKey is BQBJGZBGMVOPRH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrF3N2/c1-3-8(10(12,13)14)16-9-4-6(2)7(11)5-15-9/h4-5,8H,3H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine?
5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine has a molecular weight of 297.12 g/mol, XLogP of 3.91, 3 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-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine is sourced from PubChem (CID 157426912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).