5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine

C13H10ClF4N3O — CID 153370796

IUPAC5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine
SMILESCc1nc(Cl)cnc1-c1cnc(O[C@@H](C)C(F)(F)F)c(F)c1
InChIInChI=1S/C13H10ClF4N3O/c1-6-11(19-5-10(14)21-6)8-3-9(15)12(20-4-8)22-7(2)13(16,17)18/h3-5,7H,1-2H3/t7-/m0/s1
InChIKeyDOBMSTPPMVYRHJ-ZETCQYMHSA-N
MW335.69 g/mol
LogP3.97
Rot. Bonds3

About 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine

5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine (PubChem CID 153370796) has the molecular formula C13H10ClF4N3O and a molecular weight of 335.69 g/mol. Its IUPAC name is 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine.

Molecular Properties

Compound Name5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine
PubChem CID153370796
Molecular FormulaC13H10ClF4N3O
Molecular Weight335.69 g/mol
Exact Mass335.04
IUPAC Name5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine
SMILESCc1nc(Cl)cnc1-c1cnc(O[C@@H](C)C(F)(F)F)c(F)c1
InChIInChI=1S/C13H10ClF4N3O/c1-6-11(19-5-10(14)21-6)8-3-9(15)12(20-4-8)22-7(2)13(16,17)18/h3-5,7H,1-2H3/t7-/m0/s1
InChIKeyDOBMSTPPMVYRHJ-ZETCQYMHSA-N
XLogP3.97
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.69
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine with MolForge

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Related Compounds

6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155338056
3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 156754744
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine
CID 147462562
5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 103583728
5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol
CID 58042457
5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 66692587
2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine
CID 175572906
3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3H-[1,2,4]triazolo[4,3-b]oxazine
CID 157128252
3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 155338323
3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155364632
4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 66277825
3-(1,1-difluoroethyl)-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]triazolo[1,5-a]pyridine
CID 158187767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine?
The IUPAC name of 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine (CID 153370796) is 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine.
What is the SMILES notation for 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine?
The canonical SMILES for 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine is Cc1nc(Cl)cnc1-c1cnc(O[C@@H](C)C(F)(F)F)c(F)c1.
What is the InChIKey of 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine?
The InChIKey is DOBMSTPPMVYRHJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H10ClF4N3O/c1-6-11(19-5-10(14)21-6)8-3-9(15)12(20-4-8)22-7(2)13(16,17)18/h3-5,7H,1-2H3/t7-/m0/s1.
What are the key properties of 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine?
5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine has a molecular weight of 335.69 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine is sourced from PubChem (CID 153370796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).