4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid

C13H16F2N2O3 — CID 122034034

IUPAC4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(OC(F)F)nc2)CC1
InChIInChI=1S/C13H16F2N2O3/c14-13(15)20-11-6-5-10(7-16-11)17-9-3-1-8(2-4-9)12(18)19/h5-9,13,17H,1-4H2,(H,18,19)
InChIKeyOAIZZUKXOZZIRW-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.74
Rot. Bonds5

About 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid

4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122034034) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122034034
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(OC(F)F)nc2)CC1
InChIInChI=1S/C13H16F2N2O3/c14-13(15)20-11-6-5-10(7-16-11)17-9-3-1-8(2-4-9)12(18)19/h5-9,13,17H,1-4H2,(H,18,19)
InChIKeyOAIZZUKXOZZIRW-UHFFFAOYSA-N
XLogP2.74
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 122034034) is 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ccc(OC(F)F)nc2)CC1.
What is the InChIKey of 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OAIZZUKXOZZIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-13(15)20-11-6-5-10(7-16-11)17-9-3-1-8(2-4-9)12(18)19/h5-9,13,17H,1-4H2,(H,18,19).
What are the key properties of 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid?
4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(difluoromethoxy)-3-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122034034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).