2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid

C14H11F2NO3 — CID 63268704

IUPAC2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2cc(F)ccc2F)n1
InChIInChI=1S/C14H11F2NO3/c1-7-5-8(2)17-13(12(7)14(18)19)20-11-6-9(15)3-4-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyKAGXGNMTBGVADL-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.47
Rot. Bonds3

About 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid

2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 63268704) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID63268704
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2cc(F)ccc2F)n1
InChIInChI=1S/C14H11F2NO3/c1-7-5-8(2)17-13(12(7)14(18)19)20-11-6-9(15)3-4-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyKAGXGNMTBGVADL-UHFFFAOYSA-N
XLogP3.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678494
2-(2-methoxyphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678753
2-(4-bromo-3-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 65203397
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63217042
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 81331677
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016460
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 64856053
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid (CID 63268704) is 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Oc2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is KAGXGNMTBGVADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-7-5-8(2)17-13(12(7)14(18)19)20-11-6-9(15)3-4-10(11)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 279.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 63268704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).