5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid

C10H9F3N2O2 — CID 106213918

IUPAC5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(3-4-9)15-6-1-2-7(8(16)17)14-5-6/h1-2,5,15H,3-4H2,(H,16,17)
InChIKeyXXROSHKCTLYGRM-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.29
Rot. Bonds3

About 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid

5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid (PubChem CID 106213918) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid
PubChem CID106213918
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(3-4-9)15-6-1-2-7(8(16)17)14-5-6/h1-2,5,15H,3-4H2,(H,16,17)
InChIKeyXXROSHKCTLYGRM-UHFFFAOYSA-N
XLogP2.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid
CID 106213924
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide
CID 114159265
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid
CID 106216793
5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 115295266
5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 106219376
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-(sulfamoylamino)pyridine-2-carboxylic acid
CID 114958996

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid (CID 106213918) is 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC2(C(F)(F)F)CC2)cn1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid?
The InChIKey is XXROSHKCTLYGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)9(3-4-9)15-6-1-2-7(8(16)17)14-5-6/h1-2,5,15H,3-4H2,(H,16,17).
What are the key properties of 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid?
5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid has a molecular weight of 246.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106213918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).