2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid

C12H14FNO2 — CID 81009191

IUPAC2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1cncc(F)c1
InChIInChI=1S/C12H14FNO2/c13-9-5-8(6-14-7-9)10-3-1-2-4-11(10)12(15)16/h5-7,10-11H,1-4H2,(H,15,16)
InChIKeyTYLWCKKFMJVUCH-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.58
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid

2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid (PubChem CID 81009191) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid
PubChem CID81009191
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1cncc(F)c1
InChIInChI=1S/C12H14FNO2/c13-9-5-8(6-14-7-9)10-3-1-2-4-11(10)12(15)16/h5-7,10-11H,1-4H2,(H,15,16)
InChIKeyTYLWCKKFMJVUCH-UHFFFAOYSA-N
XLogP2.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid (CID 81009191) is 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1c1cncc(F)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid?
The InChIKey is TYLWCKKFMJVUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-9-5-8(6-14-7-9)10-3-1-2-4-11(10)12(15)16/h5-7,10-11H,1-4H2,(H,15,16).
What are the key properties of 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid?
2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81009191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).