4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

C13H14BrF3N2O2 — CID 122059880

IUPAC4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ncc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H14BrF3N2O2/c14-8-5-10(13(15,16)17)11(18-6-8)19-9-3-1-7(2-4-9)12(20)21/h5-7,9H,1-4H2,(H,18,19)(H,20,21)
InChIKeyNBACQUKFFCJWBG-UHFFFAOYSA-N
MW367.17 g/mol
LogP3.92
Rot. Bonds3

About 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122059880) has the molecular formula C13H14BrF3N2O2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122059880
Molecular FormulaC13H14BrF3N2O2
Molecular Weight367.17 g/mol
Exact Mass366.02
IUPAC Name4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ncc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H14BrF3N2O2/c14-8-5-10(13(15,16)17)11(18-6-8)19-9-3-1-7(2-4-9)12(20)21/h5-7,9H,1-4H2,(H,18,19)(H,20,21)
InChIKeyNBACQUKFFCJWBG-UHFFFAOYSA-N
XLogP3.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795986
4-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 61227666
5-bromo-N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106996016
4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 118092598
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine
CID 106796498
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
methyl 4-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 103583959
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 122060090
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 122059880) is 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ncc(Br)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NBACQUKFFCJWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O2/c14-8-5-10(13(15,16)17)11(18-6-8)19-9-3-1-7(2-4-9)12(20)21/h5-7,9H,1-4H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 367.17 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122059880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).