propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate

C10H10F3NO2 — CID 133058578

IUPACpropan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H10F3NO2/c1-6(2)16-9(15)8-5-7(3-4-14-8)10(11,12)13/h3-6H,1-2H3
InChIKeyDDKRNTYRHFYYOY-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.67
Rot. Bonds2

About propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate

propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 133058578) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID133058578
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namepropan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H10F3NO2/c1-6(2)16-9(15)8-5-7(3-4-14-8)10(11,12)13/h3-6H,1-2H3
InChIKeyDDKRNTYRHFYYOY-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
ethane;2-ethoxycarbonylpyridine-4-carboxylic acid;2-propan-2-yloxycarbonylpyridine-4-carboxylic acid
CID 145150631
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-chloropyridine-2-carboxylate
CID 8905524
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide
CID 118392768
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[4-(trifluoromethyl)-2-pyridinyl]methanone
CID 171940191
4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid
CID 167511379
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396
3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoic acid
CID 66329437
2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
CID 154344368
propan-2-yl 7-hydroxyisoquinoline-3-carboxylate
CID 133060554

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate (CID 133058578) is propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate is CC(C)OC(=O)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is DDKRNTYRHFYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-6(2)16-9(15)8-5-7(3-4-14-8)10(11,12)13/h3-6H,1-2H3.
What are the key properties of propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate?
propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 233.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 133058578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).