1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid

C17H24BrNO2 — CID 58201299

IUPAC1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCc2cccc(Br)n2)CCCCC1
InChIInChI=1S/C17H24BrNO2/c18-15-10-7-9-14(19-15)8-3-1-4-11-17(16(20)21)12-5-2-6-13-17/h7,9-10H,1-6,8,11-13H2,(H,20,21)
InChIKeyRJWBJNMYKUIJSL-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.98
Rot. Bonds7

About 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid

1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid (PubChem CID 58201299) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid
PubChem CID58201299
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCc2cccc(Br)n2)CCCCC1
InChIInChI=1S/C17H24BrNO2/c18-15-10-7-9-14(19-15)8-3-1-4-11-17(16(20)21)12-5-2-6-13-17/h7,9-10H,1-6,8,11-13H2,(H,20,21)
InChIKeyRJWBJNMYKUIJSL-UHFFFAOYSA-N
XLogP4.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 153387632
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
1-[5-[3-[4-(1-carboxycyclopropyl)butyl]-2-hydroxyphenyl]pentyl]cyclopropane-1-carboxylic acid
CID 155596549
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
1-[4-[3-[6-(1-acetylcyclopropyl)hexyl]phenyl]butyl]cyclopropane-1-carboxylic acid
CID 164595120
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-[6-[2-[6-(1-acetylcyclopropyl)hexyl]phenyl]hexyl]cyclopropane-1-carboxylic acid
CID 164595174

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid (CID 58201299) is 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid is O=C(O)C1(CCCCCc2cccc(Br)n2)CCCCC1.
What is the InChIKey of 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid?
The InChIKey is RJWBJNMYKUIJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c18-15-10-7-9-14(19-15)8-3-1-4-11-17(16(20)21)12-5-2-6-13-17/h7,9-10H,1-6,8,11-13H2,(H,20,21).
What are the key properties of 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid?
1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid has a molecular weight of 354.29 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58201299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).