3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

C11H14ClF3N2O — CID 113240572

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCCC(CCO)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H14ClF3N2O/c1-2-8(3-4-18)17-10-9(12)5-7(6-16-10)11(13,14)15/h5-6,8,18H,2-4H2,1H3,(H,16,17)
InChIKeyBQQBBZTXXLGNMM-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.33
Rot. Bonds5

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (PubChem CID 113240572) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
PubChem CID113240572
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCCC(CCO)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H14ClF3N2O/c1-2-8(3-4-18)17-10-9(12)5-7(6-16-10)11(13,14)15/h5-6,8,18H,2-4H2,1H3,(H,16,17)
InChIKeyBQQBBZTXXLGNMM-UHFFFAOYSA-N
XLogP3.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpentane-1,2-diamine
CID 63759985
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106181945
3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 83180248
3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 63540407
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354539
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 115681182

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (CID 113240572) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is CCC(CCO)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is BQQBBZTXXLGNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-2-8(3-4-18)17-10-9(12)5-7(6-16-10)11(13,14)15/h5-6,8,18H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 282.69 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 113240572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).