[(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide

C10H12F3N2- — CID 157212605

IUPAC[(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide
SMILESCC[C@@H]([NH-])c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C10H12F3N2/c1-3-8(14)7-4-5-9(10(11,12)13)15-6(7)2/h4-5,8,14H,3H2,1-2H3/q-1/t8-/m1/s1
InChIKeyASBBETPUJPPYEN-MRVPVSSYSA-N
MW217.21 g/mol
LogP3.91
Rot. Bonds2

About [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide

[(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide (PubChem CID 157212605) has the molecular formula C10H12F3N2- and a molecular weight of 217.21 g/mol. Its IUPAC name is [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide.

Molecular Properties

Compound Name[(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide
PubChem CID157212605
Molecular FormulaC10H12F3N2-
Molecular Weight217.21 g/mol
Exact Mass217.10
IUPAC Name[(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide
SMILESCC[C@@H]([NH-])c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C10H12F3N2/c1-3-8(14)7-4-5-9(10(11,12)13)15-6(7)2/h4-5,8,14H,3H2,1-2H3/q-1/t8-/m1/s1
InChIKeyASBBETPUJPPYEN-MRVPVSSYSA-N
XLogP3.91
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide?
The IUPAC name of [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide (CID 157212605) is [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide.
What is the SMILES notation for [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide?
The canonical SMILES for [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide is CC[C@@H]([NH-])c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide?
The InChIKey is ASBBETPUJPPYEN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12F3N2/c1-3-8(14)7-4-5-9(10(11,12)13)15-6(7)2/h4-5,8,14H,3H2,1-2H3/q-1/t8-/m1/s1.
What are the key properties of [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide?
[(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide has a molecular weight of 217.21 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide is sourced from PubChem (CID 157212605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).