5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid

C10H11F2NO3 — CID 138703037

IUPAC5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)ccc1OCC(C)(F)F
InChIInChI=1S/C10H11F2NO3/c1-6-8(16-5-10(2,11)12)4-3-7(13-6)9(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyQTGZLNXYAVEPIM-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.12
Rot. Bonds4

About 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid

5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid (PubChem CID 138703037) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid
PubChem CID138703037
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)ccc1OCC(C)(F)F
InChIInChI=1S/C10H11F2NO3/c1-6-8(16-5-10(2,11)12)4-3-7(13-6)9(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyQTGZLNXYAVEPIM-UHFFFAOYSA-N
XLogP2.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
5-Methoxy-6-methylpicolinic acid
CID 281704
5-Butoxypicolinic acid
CID 173872
3-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475879
2-Phenyl 6-propan-2-YL pyridine-2,6-dicarboxylate
CID 3492878
2-Ethyl 6-phenyl pyridine-2,6-dicarboxylate
CID 4032767
5-Propoxypyridine-2-carboxylic acid
CID 12919808
5-(Cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 66691895
6-[[2-Methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 155153909
5-Trifluoropentoxypicolinic acid
CID 156082
Picolinic acid, 5-(4-chlorobutoxy)-
CID 3055220

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid (CID 138703037) is 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid is Cc1nc(C(=O)O)ccc1OCC(C)(F)F.
What is the InChIKey of 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid?
The InChIKey is QTGZLNXYAVEPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-6-8(16-5-10(2,11)12)4-3-7(13-6)9(14)15/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid?
5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid has a molecular weight of 231.20 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoropropoxy)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 138703037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).