propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C17H15F4NO2 — CID 155594223

IUPACpropan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCc1c(C(F)(F)F)ccc(-c2cccc(C(=O)OC(C)C)n2)c1F
InChIInChI=1S/C17H15F4NO2/c1-9(2)24-16(23)14-6-4-5-13(22-14)11-7-8-12(17(19,20)21)10(3)15(11)18/h4-9H,1-3H3
InChIKeyKVTPVSSOQAVESN-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.78
Rot. Bonds3

About propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 155594223) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID155594223
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Namepropan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCc1c(C(F)(F)F)ccc(-c2cccc(C(=O)OC(C)C)n2)c1F
InChIInChI=1S/C17H15F4NO2/c1-9(2)24-16(23)14-6-4-5-13(22-14)11-7-8-12(17(19,20)21)10(3)15(11)18/h4-9H,1-3H3
InChIKeyKVTPVSSOQAVESN-UHFFFAOYSA-N
XLogP4.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 155594223) is propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is Cc1c(C(F)(F)F)ccc(-c2cccc(C(=O)OC(C)C)n2)c1F.
What is the InChIKey of propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is KVTPVSSOQAVESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2/c1-9(2)24-16(23)14-6-4-5-13(22-14)11-7-8-12(17(19,20)21)10(3)15(11)18/h4-9H,1-3H3.
What are the key properties of propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 341.30 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 155594223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).