1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid

C10H10BrNO2 — CID 67973232

IUPAC1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Br)cn2)CCC1
InChIInChI=1S/C10H10BrNO2/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyOALBQEKDAYWCPU-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.35
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid

1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid (PubChem CID 67973232) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid
PubChem CID67973232
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Br)cn2)CCC1
InChIInChI=1S/C10H10BrNO2/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyOALBQEKDAYWCPU-UHFFFAOYSA-N
XLogP2.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid
CID 138544182
1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 112706925
1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 115009111
2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone
CID 104798866
3-(5-bromo-2-pyridinyl)-1,1-dioxothietan-3-ol
CID 86713186
1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 96608156
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057
1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride
CID 71742170
1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 83847292
1-(5-bromopyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 126980275
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid (CID 67973232) is 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc(Br)cn2)CCC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid?
The InChIKey is OALBQEKDAYWCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-10/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid?
1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid has a molecular weight of 256.10 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 67973232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).