3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol

C17H16ClF5N2O2 — CID 166807590

IUPAC3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(O)c1c(F)c(C(O)(CN)C(F)(F)F)nc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H16ClF5N2O2/c1-15(2,26)10-11(18)13(8-3-5-9(19)6-4-8)25-14(12(10)20)16(27,7-24)17(21,22)23/h3-6,26-27H,7,24H2,1-2H3
InChIKeyQUOMYVFFQITSQM-UHFFFAOYSA-N
MW410.77 g/mol
LogP3.62
Rot. Bonds4

About 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol

3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 166807590) has the molecular formula C17H16ClF5N2O2 and a molecular weight of 410.77 g/mol. Its IUPAC name is 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID166807590
Molecular FormulaC17H16ClF5N2O2
Molecular Weight410.77 g/mol
Exact Mass410.08
IUPAC Name3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(O)c1c(F)c(C(O)(CN)C(F)(F)F)nc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H16ClF5N2O2/c1-15(2,26)10-11(18)13(8-3-5-9(19)6-4-8)25-14(12(10)20)16(27,7-24)17(21,22)23/h3-6,26-27H,7,24H2,1-2H3
InChIKeyQUOMYVFFQITSQM-UHFFFAOYSA-N
XLogP3.62
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.77
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 166807590) is 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol is CC(C)(O)c1c(F)c(C(O)(CN)C(F)(F)F)nc(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is QUOMYVFFQITSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF5N2O2/c1-15(2,26)10-11(18)13(8-3-5-9(19)6-4-8)25-14(12(10)20)16(27,7-24)17(21,22)23/h3-6,26-27H,7,24H2,1-2H3.
What are the key properties of 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol?
3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 410.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 166807590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).