1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol

C13H17F2N5O2 — CID 71143927

IUPAC1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCC(C)COc1ccc(C(F)(F)C(O)Cn2cnnn2)nc1
InChIInChI=1S/C13H17F2N5O2/c1-9(2)7-22-10-3-4-11(16-5-10)13(14,15)12(21)6-20-8-17-18-19-20/h3-5,8-9,12,21H,6-7H2,1-2H3
InChIKeyHKGDKYKMRZEYOC-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.26
Rot. Bonds7

About 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol

1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71143927) has the molecular formula C13H17F2N5O2 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71143927
Molecular FormulaC13H17F2N5O2
Molecular Weight313.31 g/mol
Exact Mass313.14
IUPAC Name1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCC(C)COc1ccc(C(F)(F)C(O)Cn2cnnn2)nc1
InChIInChI=1S/C13H17F2N5O2/c1-9(2)7-22-10-3-4-11(16-5-10)13(14,15)12(21)6-20-8-17-18-19-20/h3-5,8-9,12,21H,6-7H2,1-2H3
InChIKeyHKGDKYKMRZEYOC-UHFFFAOYSA-N
XLogP1.26
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (CID 71143927) is 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is CC(C)COc1ccc(C(F)(F)C(O)Cn2cnnn2)nc1.
What is the InChIKey of 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is HKGDKYKMRZEYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5O2/c1-9(2)7-22-10-3-4-11(16-5-10)13(14,15)12(21)6-20-8-17-18-19-20/h3-5,8-9,12,21H,6-7H2,1-2H3.
What are the key properties of 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 313.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71143927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).