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

C11H13ClF3NO — CID 63201271

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
SMILESCCC(c1ncc(C(F)(F)F)cc1Cl)C(C)O
InChIInChI=1S/C11H13ClF3NO/c1-3-8(6(2)17)10-9(12)4-7(5-16-10)11(13,14)15/h4-6,8,17H,3H2,1-2H3
InChIKeyKPMLETKIDOSVBU-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.63
Rot. Bonds3

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

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol (PubChem CID 63201271) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
PubChem CID63201271
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
SMILESCCC(c1ncc(C(F)(F)F)cc1Cl)C(C)O
InChIInChI=1S/C11H13ClF3NO/c1-3-8(6(2)17)10-9(12)4-7(5-16-10)11(13,14)15/h4-6,8,17H,3H2,1-2H3
InChIKeyKPMLETKIDOSVBU-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
CID 66798194
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 124583640
3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
CID 170266507
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
CID 170830717
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine
CID 63198526
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
CID 4522761

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol (CID 63201271) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol is CCC(c1ncc(C(F)(F)F)cc1Cl)C(C)O.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol?
The InChIKey is KPMLETKIDOSVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-3-8(6(2)17)10-9(12)4-7(5-16-10)11(13,14)15/h4-6,8,17H,3H2,1-2H3.
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol has a molecular weight of 267.68 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol is sourced from PubChem (CID 63201271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).