4-pyridin-3-ylcyclohexane-1-carboxylic acid

C12H15NO2 — CID 82282997

IUPAC4-pyridin-3-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cccnc2)CC1
InChIInChI=1S/C12H15NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h1-2,7-10H,3-6H2,(H,14,15)
InChIKeySFZGMQCOIDTXEI-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.44
Rot. Bonds2

About 4-pyridin-3-ylcyclohexane-1-carboxylic acid

4-pyridin-3-ylcyclohexane-1-carboxylic acid (PubChem CID 82282997) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-pyridin-3-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-pyridin-3-ylcyclohexane-1-carboxylic acid
PubChem CID82282997
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-pyridin-3-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cccnc2)CC1
InChIInChI=1S/C12H15NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h1-2,7-10H,3-6H2,(H,14,15)
InChIKeySFZGMQCOIDTXEI-UHFFFAOYSA-N
XLogP2.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-pyridin-3-ylcyclohexane-1-carboxylic acid (CID 82282997) is 4-pyridin-3-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-pyridin-3-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-pyridin-3-ylcyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2cccnc2)CC1.
What is the InChIKey of 4-pyridin-3-ylcyclohexane-1-carboxylic acid?
The InChIKey is SFZGMQCOIDTXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h1-2,7-10H,3-6H2,(H,14,15).
What are the key properties of 4-pyridin-3-ylcyclohexane-1-carboxylic acid?
4-pyridin-3-ylcyclohexane-1-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 82282997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).