[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol

C13H16ClF3N2O — CID 62521519

IUPAC[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1(Nc2ncc(C(F)(F)F)cc2Cl)CCCCC1
InChIInChI=1S/C13H16ClF3N2O/c14-10-6-9(13(15,16)17)7-18-11(10)19-12(8-20)4-2-1-3-5-12/h6-7,20H,1-5,8H2,(H,18,19)
InChIKeyYXTVXWGAARUXCI-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.86
Rot. Bonds3

About [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol

[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 62521519) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol
PubChem CID62521519
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1(Nc2ncc(C(F)(F)F)cc2Cl)CCCCC1
InChIInChI=1S/C13H16ClF3N2O/c14-10-6-9(13(15,16)17)7-18-11(10)19-12(8-20)4-2-1-3-5-12/h6-7,20H,1-5,8H2,(H,18,19)
InChIKeyYXTVXWGAARUXCI-UHFFFAOYSA-N
XLogP3.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol (CID 62521519) is [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol is OCC1(Nc2ncc(C(F)(F)F)cc2Cl)CCCCC1.
What is the InChIKey of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is YXTVXWGAARUXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c14-10-6-9(13(15,16)17)7-18-11(10)19-12(8-20)4-2-1-3-5-12/h6-7,20H,1-5,8H2,(H,18,19).
What are the key properties of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol?
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 308.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 62521519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).