[5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol

C11H14ClF3N2O — CID 55009331

IUPAC[5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
SMILESCC(C)N(CC(F)(F)F)c1ncc(CO)cc1Cl
InChIInChI=1S/C11H14ClF3N2O/c1-7(2)17(6-11(13,14)15)10-9(12)3-8(5-18)4-16-10/h3-4,7,18H,5-6H2,1-2H3
InChIKeyCMCTYQVUQUSDSX-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.00
Rot. Bonds4

About [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol

[5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol (PubChem CID 55009331) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
PubChem CID55009331
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name[5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
SMILESCC(C)N(CC(F)(F)F)c1ncc(CO)cc1Cl
InChIInChI=1S/C11H14ClF3N2O/c1-7(2)17(6-11(13,14)15)10-9(12)3-8(5-18)4-16-10/h3-4,7,18H,5-6H2,1-2H3
InChIKeyCMCTYQVUQUSDSX-UHFFFAOYSA-N
XLogP3.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol (CID 55009331) is [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol is CC(C)N(CC(F)(F)F)c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The InChIKey is CMCTYQVUQUSDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-7(2)17(6-11(13,14)15)10-9(12)3-8(5-18)4-16-10/h3-4,7,18H,5-6H2,1-2H3.
What are the key properties of [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
[5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol has a molecular weight of 282.69 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 55009331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).