6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine

C11H12ClF3N2O2 — CID 118065568

IUPAC6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine
SMILESCC[C@@]1(c2cc(Cl)ncc2N)OC[C@H](C(F)(F)F)O1
InChIInChI=1S/C11H12ClF3N2O2/c1-2-10(6-3-9(12)17-4-7(6)16)18-5-8(19-10)11(13,14)15/h3-4,8H,2,5,16H2,1H3/t8-,10-/m1/s1
InChIKeyIKHCHWVZUAJOTM-PSASIEDQSA-N
MW296.68 g/mol
LogP2.86
Rot. Bonds2

About 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine

6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine (PubChem CID 118065568) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine
PubChem CID118065568
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine
SMILESCC[C@@]1(c2cc(Cl)ncc2N)OC[C@H](C(F)(F)F)O1
InChIInChI=1S/C11H12ClF3N2O2/c1-2-10(6-3-9(12)17-4-7(6)16)18-5-8(19-10)11(13,14)15/h3-4,8H,2,5,16H2,1H3/t8-,10-/m1/s1
InChIKeyIKHCHWVZUAJOTM-PSASIEDQSA-N
XLogP2.86
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine?
The IUPAC name of 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine (CID 118065568) is 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine?
The canonical SMILES for 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine is CC[C@@]1(c2cc(Cl)ncc2N)OC[C@H](C(F)(F)F)O1.
What is the InChIKey of 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine?
The InChIKey is IKHCHWVZUAJOTM-PSASIEDQSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c1-2-10(6-3-9(12)17-4-7(6)16)18-5-8(19-10)11(13,14)15/h3-4,8H,2,5,16H2,1H3/t8-,10-/m1/s1.
What are the key properties of 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine?
6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine has a molecular weight of 296.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2R,4R)-2-ethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-amine is sourced from PubChem (CID 118065568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).