1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol

C16H13F3IN5O2 — CID 162591267

IUPAC1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol
SMILESCOc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(I)cc2F)nc1
InChIInChI=1S/C16H13F3IN5O2/c1-27-11-3-5-14(21-7-11)16(18,19)15(26,8-25-9-22-23-24-25)12-4-2-10(20)6-13(12)17/h2-7,9,26H,8H2,1H3
InChIKeyMJICQTOUPOWTQD-UHFFFAOYSA-N
MW491.21 g/mol
LogP2.50
Rot. Bonds6

About 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol

1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 162591267) has the molecular formula C16H13F3IN5O2 and a molecular weight of 491.21 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol
PubChem CID162591267
Molecular FormulaC16H13F3IN5O2
Molecular Weight491.21 g/mol
Exact Mass491.01
IUPAC Name1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol
SMILESCOc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(I)cc2F)nc1
InChIInChI=1S/C16H13F3IN5O2/c1-27-11-3-5-14(21-7-11)16(18,19)15(26,8-25-9-22-23-24-25)12-4-2-10(20)6-13(12)17/h2-7,9,26H,8H2,1H3
InChIKeyMJICQTOUPOWTQD-UHFFFAOYSA-N
XLogP2.50
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol (CID 162591267) is 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol is COc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(I)cc2F)nc1.
What is the InChIKey of 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is MJICQTOUPOWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3IN5O2/c1-27-11-3-5-14(21-7-11)16(18,19)15(26,8-25-9-22-23-24-25)12-4-2-10(20)6-13(12)17/h2-7,9,26H,8H2,1H3.
What are the key properties of 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol?
1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 491.21 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 162591267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).