2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine

C15H13F2N5O — CID 71857781

IUPAC2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine
SMILESFC(F)Oc1ccc(Cn2nnnc2Cc2ccccn2)cc1
InChIInChI=1S/C15H13F2N5O/c16-15(17)23-13-6-4-11(5-7-13)10-22-14(19-20-21-22)9-12-3-1-2-8-18-12/h1-8,15H,9-10H2
InChIKeyBSTKXASNJAXXMF-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.31
Rot. Bonds6

About 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine

2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine (PubChem CID 71857781) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine
PubChem CID71857781
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine
SMILESFC(F)Oc1ccc(Cn2nnnc2Cc2ccccn2)cc1
InChIInChI=1S/C15H13F2N5O/c16-15(17)23-13-6-4-11(5-7-13)10-22-14(19-20-21-22)9-12-3-1-2-8-18-12/h1-8,15H,9-10H2
InChIKeyBSTKXASNJAXXMF-UHFFFAOYSA-N
XLogP2.31
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine?
The IUPAC name of 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine (CID 71857781) is 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine.
What is the SMILES notation for 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine?
The canonical SMILES for 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine is FC(F)Oc1ccc(Cn2nnnc2Cc2ccccn2)cc1.
What is the InChIKey of 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine?
The InChIKey is BSTKXASNJAXXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c16-15(17)23-13-6-4-11(5-7-13)10-22-14(19-20-21-22)9-12-3-1-2-8-18-12/h1-8,15H,9-10H2.
What are the key properties of 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine?
2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine has a molecular weight of 317.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine is sourced from PubChem (CID 71857781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).