2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol

C11H14ClF3N2O — CID 102716027

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-6(2)8(5-18)16-10-4-7(11(13,14)15)3-9(12)17-10/h3-4,6,8,18H,5H2,1-2H3,(H,16,17)
InChIKeyUJDCIHBIUVOSPB-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.18
Rot. Bonds4

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 102716027) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID102716027
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-6(2)8(5-18)16-10-4-7(11(13,14)15)3-9(12)17-10/h3-4,6,8,18H,5H2,1-2H3,(H,16,17)
InChIKeyUJDCIHBIUVOSPB-UHFFFAOYSA-N
XLogP3.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-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

(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
CID 126782207
2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 53408938
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 43388767
2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)propan-1-ol
CID 71844216
6-chloro-N-cyclopropyl-3-(trifluoromethyl)pyridin-2-amine
CID 15698221
1-[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylpiperazine
CID 18186875
N-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 20339534
2-(2-Dimethylaminoethylamino)-4-trifluoromethyl-6-chloropyridine
CID 20339624
4-(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)morpholine
CID 28875856
6-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3-(trifluoromethyl)pyridin-2-amine
CID 58127318
2-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 58265083
6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine
CID 59131330

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 102716027) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is UJDCIHBIUVOSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-6(2)8(5-18)16-10-4-7(11(13,14)15)3-9(12)17-10/h3-4,6,8,18H,5H2,1-2H3,(H,16,17).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol has a molecular weight of 282.69 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 102716027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).