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

C11H14ClF3N2O — CID 102716012

IUPAC4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-7(2-3-18)6-16-10-5-8(11(13,14)15)4-9(12)17-10/h4-5,7,18H,2-3,6H2,1H3,(H,16,17)
InChIKeyJYGNGESKFZEGIS-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.18
Rot. Bonds5

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

4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 102716012) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID102716012
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-7(2-3-18)6-16-10-5-8(11(13,14)15)4-9(12)17-10/h4-5,7,18H,2-3,6H2,1H3,(H,16,17)
InChIKeyJYGNGESKFZEGIS-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 102716012) is 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is CC(CCO)CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is JYGNGESKFZEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-7(2-3-18)6-16-10-5-8(11(13,14)15)4-9(12)17-10/h4-5,7,18H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol has a molecular weight of 282.69 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 102716012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).