3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid

C10H8F5NO3 — CID 172784568

IUPAC3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid
SMILESCc1cc(OCC(F)(F)C(F)(F)F)cnc1C(=O)O
InChIInChI=1S/C10H8F5NO3/c1-5-2-6(3-16-7(5)8(17)18)19-4-9(11,12)10(13,14)15/h2-3H,4H2,1H3,(H,17,18)
InChIKeyOSGCMJCSLSBIKP-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.66
Rot. Bonds4

About 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid

3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid (PubChem CID 172784568) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid
PubChem CID172784568
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Name3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid
SMILESCc1cc(OCC(F)(F)C(F)(F)F)cnc1C(=O)O
InChIInChI=1S/C10H8F5NO3/c1-5-2-6(3-16-7(5)8(17)18)19-4-9(11,12)10(13,14)15/h2-3H,4H2,1H3,(H,17,18)
InChIKeyOSGCMJCSLSBIKP-UHFFFAOYSA-N
XLogP2.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
5-Butoxypicolinic acid
CID 173872
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
3-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475879
5-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyridinecarboxylic acid
CID 122178897
Methyl 5-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyridinecarboxylate
CID 122178898
6-Methylpyridin-3-yl 4-butoxybenzoate
CID 3245584
(4-Methoxycarbonylphenyl) pyridine-2-carboxylate
CID 2677992
5-Propoxypyridine-2-carboxylic acid
CID 12919808
5-(Cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 66691895
3-[[6-(Trifluoromethyl)pyridin-3-yl]oxymethyl]benzoic acid
CID 155154076

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid (CID 172784568) is 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid is Cc1cc(OCC(F)(F)C(F)(F)F)cnc1C(=O)O.
What is the InChIKey of 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid?
The InChIKey is OSGCMJCSLSBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-5-2-6(3-16-7(5)8(17)18)19-4-9(11,12)10(13,14)15/h2-3H,4H2,1H3,(H,17,18).
What are the key properties of 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid?
3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid has a molecular weight of 285.17 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 172784568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).