1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol

C12H16ClF3N2O — CID 91501232

IUPAC1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol
SMILESCCCC(O)CCNc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C12H16ClF3N2O/c1-2-3-8(19)6-7-17-10-5-4-9(11(13)18-10)12(14,15)16/h4-5,8,19H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyQTYQSDGFRMWJIG-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.72
Rot. Bonds6

About 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol

1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol (PubChem CID 91501232) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol.

Molecular Properties

Compound Name1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol
PubChem CID91501232
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol
SMILESCCCC(O)CCNc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C12H16ClF3N2O/c1-2-3-8(19)6-7-17-10-5-4-9(11(13)18-10)12(14,15)16/h4-5,8,19H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyQTYQSDGFRMWJIG-UHFFFAOYSA-N
XLogP3.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)propane-1,2-diol
CID 66175652
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 43388767
(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 96353122
(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol
CID 99703929
(2S)-1-[(5-chloro-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)propan-2-ol
CID 129610968
(1-{[(5-Chloro-6-methylpyridin-2-yl)amino]methyl}cyclobutyl)methanol
CID 132418689
[(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol
CID 164640371
6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
CID 15698220
6-chloro-N-cyclopropyl-3-(trifluoromethyl)pyridin-2-amine
CID 15698221
N-Methyl-3-(trifluoromethyl)-6-chloro-2-pyridinamine
CID 11074677
6-chloro-N-methyl-5-(trifluoromethyl)-2-pyridinamine
CID 11805975
4-[[5-(Trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 57508125

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol?
The IUPAC name of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol (CID 91501232) is 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol.
What is the SMILES notation for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol?
The canonical SMILES for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol is CCCC(O)CCNc1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol?
The InChIKey is QTYQSDGFRMWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c1-2-3-8(19)6-7-17-10-5-4-9(11(13)18-10)12(14,15)16/h4-5,8,19H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol?
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol has a molecular weight of 296.72 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol is sourced from PubChem (CID 91501232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).