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

C13H18ClF3N2O — CID 102716013

IUPAC1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H18ClF3N2O/c1-8(2)6-12(3,20)7-18-11-5-9(13(15,16)17)4-10(14)19-11/h4-5,8,20H,6-7H2,1-3H3,(H,18,19)
InChIKeyHTEJJZIJCOLXDM-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.96
Rot. Bonds5

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

1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 102716013) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol
PubChem CID102716013
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H18ClF3N2O/c1-8(2)6-12(3,20)7-18-11-5-9(13(15,16)17)4-10(14)19-11/h4-5,8,20H,6-7H2,1-3H3,(H,18,19)
InChIKeyHTEJJZIJCOLXDM-UHFFFAOYSA-N
XLogP3.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol (CID 102716013) is 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is HTEJJZIJCOLXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O/c1-8(2)6-12(3,20)7-18-11-5-9(13(15,16)17)4-10(14)19-11/h4-5,8,20H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol?
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 310.75 g/mol, XLogP of 3.96, 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]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 102716013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).