[3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol

C11H12ClF3N2O — CID 55009084

IUPAC[3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol
SMILESOCc1nc(N(CC(F)(F)F)C2CC2)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O/c12-8-3-4-10(16-9(8)5-18)17(7-1-2-7)6-11(13,14)15/h3-4,7,18H,1-2,5-6H2
InChIKeyHWXCJIWCJPMQFE-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.76
Rot. Bonds4

About [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol

[3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol (PubChem CID 55009084) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol
PubChem CID55009084
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name[3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol
SMILESOCc1nc(N(CC(F)(F)F)C2CC2)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O/c12-8-3-4-10(16-9(8)5-18)17(7-1-2-7)6-11(13,14)15/h3-4,7,18H,1-2,5-6H2
InChIKeyHWXCJIWCJPMQFE-UHFFFAOYSA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol (CID 55009084) is [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol is OCc1nc(N(CC(F)(F)F)C2CC2)ccc1Cl.
What is the InChIKey of [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol?
The InChIKey is HWXCJIWCJPMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-8-3-4-10(16-9(8)5-18)17(7-1-2-7)6-11(13,14)15/h3-4,7,18H,1-2,5-6H2.
What are the key properties of [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol?
[3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol has a molecular weight of 280.68 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 55009084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).