6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid

C10H10F4N2O2 — CID 114169680

IUPAC6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)5-15-4-6-2-1-3-7(16-6)8(17)18/h1-3,9,15H,4-5H2,(H,17,18)
InChIKeyFKHMQJAPXNXREB-UHFFFAOYSA-N
MW266.19 g/mol
LogP1.77
Rot. Bonds6

About 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid

6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 114169680) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
PubChem CID114169680
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)5-15-4-6-2-1-3-7(16-6)8(17)18/h1-3,9,15H,4-5H2,(H,17,18)
InChIKeyFKHMQJAPXNXREB-UHFFFAOYSA-N
XLogP1.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904961
6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
CID 106278506
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
CID 114150255
6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106178072
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid (CID 114169680) is 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNCC(F)(F)C(F)F)n1.
What is the InChIKey of 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is FKHMQJAPXNXREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)5-15-4-6-2-1-3-7(16-6)8(17)18/h1-3,9,15H,4-5H2,(H,17,18).
What are the key properties of 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid?
6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 266.19 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114169680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).