3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine

C10H10F3N5O — CID 167756005

IUPAC3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1c(OCC(F)(F)F)ccnc1Cn1cnnn1
InChIInChI=1S/C10H10F3N5O/c1-7-8(4-18-6-15-16-17-18)14-3-2-9(7)19-5-10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyBLYBCUXIADTPFD-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.37
Rot. Bonds4

About 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine

3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 167756005) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID167756005
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1c(OCC(F)(F)F)ccnc1Cn1cnnn1
InChIInChI=1S/C10H10F3N5O/c1-7-8(4-18-6-15-16-17-18)14-3-2-9(7)19-5-10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyBLYBCUXIADTPFD-UHFFFAOYSA-N
XLogP1.37
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine (CID 167756005) is 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine is Cc1c(OCC(F)(F)F)ccnc1Cn1cnnn1.
What is the InChIKey of 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is BLYBCUXIADTPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-7-8(4-18-6-15-16-17-18)14-3-2-9(7)19-5-10(11,12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 273.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 167756005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).