(2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile

C10H11F3N2O — CID 173468425

IUPAC(2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile
SMILESCC(OC1=C[C@@](C)(C#N)NC=C1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-7(10(11,12)13)16-8-3-4-15-9(2,5-8)6-14/h3-5,7,15H,1-2H3/t7?,9-/m0/s1
InChIKeyVUOHZVZXNQAEEJ-NETXQHHPSA-N
MW232.20 g/mol
LogP2.24
Rot. Bonds2

About (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile

(2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile (PubChem CID 173468425) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile
PubChem CID173468425
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name(2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile
SMILESCC(OC1=C[C@@](C)(C#N)NC=C1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-7(10(11,12)13)16-8-3-4-15-9(2,5-8)6-14/h3-5,7,15H,1-2H3/t7?,9-/m0/s1
InChIKeyVUOHZVZXNQAEEJ-NETXQHHPSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine-2-carbonitrile
CID 68266845
6-Methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridin-1-ium-2-carbonitrile
CID 143808984
4-(1,1,1-Trifluoropropan-2-yloxy)-1,2-dihydropyridine-2-carbonitrile
CID 143808999
4-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridin-1-ide-2-carbonitrile
CID 153224337
4-(2,2,2-Trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile
CID 153146344
2-Methanidyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-1-ium
CID 162557057
2-Methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
CID 162557058
4-(2,2,2-Trifluoro-1-methoxyethyl)-1,2-dihydropyridine-2-carbonitrile
CID 162557062
4-(2,2,2-Trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile
CID 162586380
4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile
CID 177254476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile?
The IUPAC name of (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile (CID 173468425) is (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile.
What is the SMILES notation for (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile?
The canonical SMILES for (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile is CC(OC1=C[C@@](C)(C#N)NC=C1)C(F)(F)F.
What is the InChIKey of (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile?
The InChIKey is VUOHZVZXNQAEEJ-NETXQHHPSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-7(10(11,12)13)16-8-3-4-15-9(2,5-8)6-14/h3-5,7,15H,1-2H3/t7?,9-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile?
(2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile has a molecular weight of 232.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 173468425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).