5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine

C14H10F3NO2 — CID 154715537

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13-4-2-10(7-18-13)5-9-1-3-11-12(6-9)20-8-19-11/h1-4,6-7H,5,8H2
InChIKeyBRCCMFZQDKKVBU-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.42
Rot. Bonds2

About 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine

5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine (PubChem CID 154715537) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine
PubChem CID154715537
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13-4-2-10(7-18-13)5-9-1-3-11-12(6-9)20-8-19-11/h1-4,6-7H,5,8H2
InChIKeyBRCCMFZQDKKVBU-UHFFFAOYSA-N
XLogP3.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-ylmethyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 141180684
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
5-(2,2,2-trifluoroethyl)-1,3-benzodioxole
CID 116932124
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
4-N-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747183
5-[(3-fluoro-4-methylphenyl)methyl]-1,3-benzodioxole
CID 153168719
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43044788
3-(1,3-benzodioxol-5-yl)-2,2-difluoropropanenitrile
CID 141416799
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 34968963
4-(1,3-benzodioxol-5-ylmethyl)-6-(trichloromethyl)triazine
CID 68951760
4-(1,3-benzodioxol-5-ylmethyl)pyrimidine
CID 91734828
1,3-benzodioxol-5-ylmethyl(trifluoro)boranuide
CID 138967378

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine (CID 154715537) is 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Cc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is BRCCMFZQDKKVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)13-4-2-10(7-18-13)5-9-1-3-11-12(6-9)20-8-19-11/h1-4,6-7H,5,8H2.
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine?
5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 281.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 154715537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).