2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid

C13H9F2NO3 — CID 62783634

IUPAC2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H9F2NO3/c1-7-2-3-11(13(17)18)12(16-7)19-10-5-8(14)4-9(15)6-10/h2-6H,1H3,(H,17,18)
InChIKeyDQNMQWLYSACCPV-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.16
Rot. Bonds3

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

2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 62783634) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID62783634
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H9F2NO3/c1-7-2-3-11(13(17)18)12(16-7)19-10-5-8(14)4-9(15)6-10/h2-6H,1H3,(H,17,18)
InChIKeyDQNMQWLYSACCPV-UHFFFAOYSA-N
XLogP3.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62703441
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 64856053
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 79407873
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116804006
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 81331677
2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 55107905
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid (CID 62783634) is 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Oc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is DQNMQWLYSACCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c1-7-2-3-11(13(17)18)12(16-7)19-10-5-8(14)4-9(15)6-10/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid?
2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62783634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).