1-pyridin-4-ylcyclobutane-1-carboxylic acid

C10H11NO2 — CID 55265399

IUPAC1-pyridin-4-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccncc2)CCC1
InChIInChI=1S/C10H11NO2/c12-9(13)10(4-1-5-10)8-2-6-11-7-3-8/h2-3,6-7H,1,4-5H2,(H,12,13)
InChIKeyJOLHBBPHSNWWQF-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.59
Rot. Bonds2

About 1-pyridin-4-ylcyclobutane-1-carboxylic acid

1-pyridin-4-ylcyclobutane-1-carboxylic acid (PubChem CID 55265399) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-pyridin-4-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-4-ylcyclobutane-1-carboxylic acid
PubChem CID55265399
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-pyridin-4-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccncc2)CCC1
InChIInChI=1S/C10H11NO2/c12-9(13)10(4-1-5-10)8-2-6-11-7-3-8/h2-3,6-7H,1,4-5H2,(H,12,13)
InChIKeyJOLHBBPHSNWWQF-UHFFFAOYSA-N
XLogP1.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
CID 82537404
1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
CID 117394133
1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid
CID 115009002
3,3-diethyl-1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 80524049
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
CID 117355313
1-[4-(pyridin-3-ylmethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 82539424
1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium
CID 58954909
1-[4-(methoxycarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117375603
1-[4-(2-methylsulfonylpropan-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117114286
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-(2-iodophenyl)cyclobutane-1-carboxylic acid
CID 86712326

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-pyridin-4-ylcyclobutane-1-carboxylic acid (CID 55265399) is 1-pyridin-4-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-pyridin-4-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-pyridin-4-ylcyclobutane-1-carboxylic acid is O=C(O)C1(c2ccncc2)CCC1.
What is the InChIKey of 1-pyridin-4-ylcyclobutane-1-carboxylic acid?
The InChIKey is JOLHBBPHSNWWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-9(13)10(4-1-5-10)8-2-6-11-7-3-8/h2-3,6-7H,1,4-5H2,(H,12,13).
What are the key properties of 1-pyridin-4-ylcyclobutane-1-carboxylic acid?
1-pyridin-4-ylcyclobutane-1-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 55265399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).