4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol

C14H21F2NO2 — CID 20763698

IUPAC4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol
SMILESCC(CO)CCc1c(F)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C14H21F2NO2/c1-9(8-18)5-6-10-12(19-14(2,3)4)11(15)7-17-13(10)16/h7,9,18H,5-6,8H2,1-4H3
InChIKeyCAQNUGNPVYYOND-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.10
Rot. Bonds5

About 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol

4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol (PubChem CID 20763698) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol
PubChem CID20763698
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol
SMILESCC(CO)CCc1c(F)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C14H21F2NO2/c1-9(8-18)5-6-10-12(19-14(2,3)4)11(15)7-17-13(10)16/h7,9,18H,5-6,8H2,1-4H3
InChIKeyCAQNUGNPVYYOND-UHFFFAOYSA-N
XLogP3.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(tert-Butoxy)-2,5-difluoro-3-methylpyridine
CID 10888943
5-[2,5-Difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile
CID 20763708
4-Butoxy-2,5-difluoro-3-methylpyridine
CID 21831026
2-(4-t-Butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropaneacetonitrile
CID 22474869
(2R)-3-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-2-methylpropan-1-ol
CID 53920784
2-[2-(4-Butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile
CID 54544922
2-Fluoro-5-hexyl-4-methoxypyridine
CID 130325062
3-Fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine
CID 134168194
2,5-Ditert-butyl-3-fluoro-4-propan-2-yloxypyridine
CID 134411099
[4-(2-Ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol
CID 134465849
2-Fluoro-4-methoxy-5-nonan-3-ylpyridine
CID 139376349
2-Cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
CID 140972697

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol?
The IUPAC name of 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol (CID 20763698) is 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol.
What is the SMILES notation for 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol?
The canonical SMILES for 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol is CC(CO)CCc1c(F)ncc(F)c1OC(C)(C)C.
What is the InChIKey of 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol?
The InChIKey is CAQNUGNPVYYOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-9(8-18)5-6-10-12(19-14(2,3)4)11(15)7-17-13(10)16/h7,9,18H,5-6,8H2,1-4H3.
What are the key properties of 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol?
4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol has a molecular weight of 273.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-2-methylbutan-1-ol is sourced from PubChem (CID 20763698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).