1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol

C13H16BrF3N2O — CID 106796746

IUPAC1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H16BrF3N2O/c1-19(8-12(20)4-2-3-5-12)11-10(13(15,16)17)6-9(14)7-18-11/h6-7,20H,2-5,8H2,1H3
InChIKeyIKVSFYLSIKZLKF-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.60
Rot. Bonds3

About 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 106796746) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID106796746
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H16BrF3N2O/c1-19(8-12(20)4-2-3-5-12)11-10(13(15,16)17)6-9(14)7-18-11/h6-7,20H,2-5,8H2,1H3
InChIKeyIKVSFYLSIKZLKF-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
CID 106795797
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114950302
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796576
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]butanethioamide
CID 106795818
1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952107
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 106797206
1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114072836
1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114947828
1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol
CID 138013529

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (CID 106796746) is 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is IKVSFYLSIKZLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c1-19(8-12(20)4-2-3-5-12)11-10(13(15,16)17)6-9(14)7-18-11/h6-7,20H,2-5,8H2,1H3.
What are the key properties of 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 353.18 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106796746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).