1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol

C22H16ClF4N5O2 — CID 71139168

IUPAC1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H16ClF4N5O2/c23-15-3-1-14(2-4-15)11-34-17-6-8-20(28-10-17)22(26,27)21(33,12-32-13-29-30-31-32)18-7-5-16(24)9-19(18)25/h1-10,13,33H,11-12H2
InChIKeyYYDOXVPUQFNKAA-UHFFFAOYSA-N
MW493.85 g/mol
LogP4.26
Rot. Bonds8

About 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol

1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71139168) has the molecular formula C22H16ClF4N5O2 and a molecular weight of 493.85 g/mol. Its IUPAC name is 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71139168
Molecular FormulaC22H16ClF4N5O2
Molecular Weight493.85 g/mol
Exact Mass493.09
IUPAC Name1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H16ClF4N5O2/c23-15-3-1-14(2-4-15)11-34-17-6-8-20(28-10-17)22(26,27)21(33,12-32-13-29-30-31-32)18-7-5-16(24)9-19(18)25/h1-10,13,33H,11-12H2
InChIKeyYYDOXVPUQFNKAA-UHFFFAOYSA-N
XLogP4.26
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (CID 71139168) is 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is YYDOXVPUQFNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N5O2/c23-15-3-1-14(2-4-15)11-34-17-6-8-20(28-10-17)22(26,27)21(33,12-32-13-29-30-31-32)18-7-5-16(24)9-19(18)25/h1-10,13,33H,11-12H2.
What are the key properties of 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 493.85 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71139168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).