3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

C13H15F3N2O2 — CID 63041886

IUPAC3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-2-6-17-11(10)18-9-4-1-3-8(7-9)12(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,17,18)(H,19,20)
InChIKeyAIVYEIOPWYOADX-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.16
Rot. Bonds3

About 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63041886) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63041886
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-2-6-17-11(10)18-9-4-1-3-8(7-9)12(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,17,18)(H,19,20)
InChIKeyAIVYEIOPWYOADX-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 63922973
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 62397155
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol
CID 133496229
N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 103704298
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 43317156
2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 55107908
N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
CID 114179338
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 63041886) is 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(Nc2ncccc2C(F)(F)F)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is AIVYEIOPWYOADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-2-6-17-11(10)18-9-4-1-3-8(7-9)12(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63041886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).