2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid

C20H19F2NO4 — CID 121447294

IUPAC2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1COc1c(F)cc(-c2cccc(OCC3CC3)n2)cc1F
InChIInChI=1S/C20H19F2NO4/c21-15-7-12(17-2-1-3-18(23-17)26-9-11-4-5-11)8-16(22)19(15)27-10-13-6-14(13)20(24)25/h1-3,7-8,11,13-14H,4-6,9-10H2,(H,24,25)
InChIKeyLHWNWFPQYDVVGE-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.92
Rot. Bonds8

About 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid

2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid (PubChem CID 121447294) has the molecular formula C20H19F2NO4 and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid
PubChem CID121447294
Molecular FormulaC20H19F2NO4
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Name2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1COc1c(F)cc(-c2cccc(OCC3CC3)n2)cc1F
InChIInChI=1S/C20H19F2NO4/c21-15-7-12(17-2-1-3-18(23-17)26-9-11-4-5-11)8-16(22)19(15)27-10-13-6-14(13)20(24)25/h1-3,7-8,11,13-14H,4-6,9-10H2,(H,24,25)
InChIKeyLHWNWFPQYDVVGE-UHFFFAOYSA-N
XLogP3.92
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid (CID 121447294) is 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1COc1c(F)cc(-c2cccc(OCC3CC3)n2)cc1F.
What is the InChIKey of 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LHWNWFPQYDVVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO4/c21-15-7-12(17-2-1-3-18(23-17)26-9-11-4-5-11)8-16(22)19(15)27-10-13-6-14(13)20(24)25/h1-3,7-8,11,13-14H,4-6,9-10H2,(H,24,25).
What are the key properties of 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid?
2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 375.37 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 121447294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).