1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol

C12H16BrF3N2O — CID 107153440

IUPAC1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H16BrF3N2O/c1-7(2)3-9(19)6-18-11-10(12(14,15)16)4-8(13)5-17-11/h4-5,7,9,19H,3,6H2,1-2H3,(H,17,18)
InChIKeyRUJWXFAHUOPUTN-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.68
Rot. Bonds5

About 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol

1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol (PubChem CID 107153440) has the molecular formula C12H16BrF3N2O and a molecular weight of 341.17 g/mol. Its IUPAC name is 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
PubChem CID107153440
Molecular FormulaC12H16BrF3N2O
Molecular Weight341.17 g/mol
Exact Mass340.04
IUPAC Name1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H16BrF3N2O/c1-7(2)3-9(19)6-18-11-10(12(14,15)16)4-8(13)5-17-11/h4-5,7,9,19H,3,6H2,1-2H3,(H,17,18)
InChIKeyRUJWXFAHUOPUTN-UHFFFAOYSA-N
XLogP3.68
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796017
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106797124
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361
4-bromo-N-(2-hydroxy-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 103925349
1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796286

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol (CID 107153440) is 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The InChIKey is RUJWXFAHUOPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2O/c1-7(2)3-9(19)6-18-11-10(12(14,15)16)4-8(13)5-17-11/h4-5,7,9,19H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol?
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol has a molecular weight of 341.17 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107153440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).