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

C10H10F4N2O2 — CID 114198906

IUPAC2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CNCC(F)(F)C(F)F
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)5-15-4-7-6(8(17)18)2-1-3-16-7/h1-3,9,15H,4-5H2,(H,17,18)
InChIKeyCUNJIQPXSIGNBO-UHFFFAOYSA-N
MW266.19 g/mol
LogP1.77
Rot. Bonds6

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

2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid (PubChem CID 114198906) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid
PubChem CID114198906
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CNCC(F)(F)C(F)F
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)5-15-4-7-6(8(17)18)2-1-3-16-7/h1-3,9,15H,4-5H2,(H,17,18)
InChIKeyCUNJIQPXSIGNBO-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

2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid
CID 46398493
6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
CID 114169680
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198630
2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198851
3-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophene-2-carboxylic acid
CID 106294365
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198744
2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid
CID 114260572
2-[(4-chloro-3-fluoroanilino)methyl]pyridine-3-carboxylic acid
CID 114198674
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198751

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid (CID 114198906) is 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CNCC(F)(F)C(F)F.
What is the InChIKey of 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid?
The InChIKey is CUNJIQPXSIGNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)5-15-4-7-6(8(17)18)2-1-3-16-7/h1-3,9,15H,4-5H2,(H,17,18).
What are the key properties of 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid?
2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-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 2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).