sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate

C8H6F2NNaO3 — CID 131676505

IUPACsodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate
SMILESO=C([O-])Cc1ccc(OC(F)F)cn1.[Na+]
InChIInChI=1S/C8H7F2NO3.Na/c9-8(10)14-6-2-1-5(11-4-6)3-7(12)13;/h1-2,4,8H,3H2,(H,12,13);/q;+1/p-1
InChIKeyZUGWOANORUEONP-UHFFFAOYSA-M
MW225.13 g/mol
LogP-3.02
Rot. Bonds4

About sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate

sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate (PubChem CID 131676505) has the molecular formula C8H6F2NNaO3 and a molecular weight of 225.13 g/mol. Its IUPAC name is sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namesodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate
PubChem CID131676505
Molecular FormulaC8H6F2NNaO3
Molecular Weight225.13 g/mol
Exact Mass225.02
IUPAC Namesodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate
SMILESO=C([O-])Cc1ccc(OC(F)F)cn1.[Na+]
InChIInChI=1S/C8H7F2NO3.Na/c9-8(10)14-6-2-1-5(11-4-6)3-7(12)13;/h1-2,4,8H,3H2,(H,12,13);/q;+1/p-1
InChIKeyZUGWOANORUEONP-UHFFFAOYSA-M
XLogP-3.02
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 5-3.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethoxy)pyridine-2-sulfinic acid
CID 146013721
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123694856
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79793947
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
CID 68550824
(3R)-3-azaniumyl-3-[4-(difluoromethoxy)phenyl]propanoate
CID 2342012
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
5-(difluoromethoxy)-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 136588722
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211
3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
CID 133423941
2-(2,6-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 118825016
5-(difluoromethoxy)-2-pyridin-4-ylpyridine
CID 46316882

Frequently Asked Questions

What is the IUPAC name of sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate?
The IUPAC name of sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate (CID 131676505) is sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate.
What is the SMILES notation for sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate?
The canonical SMILES for sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate is O=C([O-])Cc1ccc(OC(F)F)cn1.[Na+].
What is the InChIKey of sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate?
The InChIKey is ZUGWOANORUEONP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7F2NO3.Na/c9-8(10)14-6-2-1-5(11-4-6)3-7(12)13;/h1-2,4,8H,3H2,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate?
sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate has a molecular weight of 225.13 g/mol, XLogP of -3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 131676505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).