1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol

C11H14ClF3N2O — CID 102716204

IUPAC1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCCCC(O)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-2-3-8(18)6-16-10-5-7(11(13,14)15)4-9(12)17-10/h4-5,8,18H,2-3,6H2,1H3,(H,16,17)
InChIKeyLUEXKZRLNMHBGC-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.33
Rot. Bonds5

About 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol

1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (PubChem CID 102716204) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
PubChem CID102716204
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCCCC(O)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-2-3-8(18)6-16-10-5-7(11(13,14)15)4-9(12)17-10/h4-5,8,18H,2-3,6H2,1H3,(H,16,17)
InChIKeyLUEXKZRLNMHBGC-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

Computed Properties (RDKit)

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

Analyze 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102719358
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107154974
6-chloro-N-pentan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102715439
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 102716159
6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (CID 102716204) is 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is CCCC(O)CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The InChIKey is LUEXKZRLNMHBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-2-3-8(18)6-16-10-5-7(11(13,14)15)4-9(12)17-10/h4-5,8,18H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-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 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 102716204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).