4-(5-bromo-3-pyridinyl)butanoic acid

C9H10BrNO2 — CID 104813709

IUPAC4-(5-bromo-3-pyridinyl)butanoic acid
SMILESO=C(O)CCCc1cncc(Br)c1
InChIInChI=1S/C9H10BrNO2/c10-8-4-7(5-11-6-8)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13)
InChIKeyWQIBJNHPFKTJQG-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.25
Rot. Bonds4

About 4-(5-bromo-3-pyridinyl)butanoic acid

4-(5-bromo-3-pyridinyl)butanoic acid (PubChem CID 104813709) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)butanoic acid
PubChem CID104813709
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name4-(5-bromo-3-pyridinyl)butanoic acid
SMILESO=C(O)CCCc1cncc(Br)c1
InChIInChI=1S/C9H10BrNO2/c10-8-4-7(5-11-6-8)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13)
InChIKeyWQIBJNHPFKTJQG-UHFFFAOYSA-N
XLogP2.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid
CID 115741272
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
4-amino-1-(5-bromo-3-pyridinyl)butan-2-one
CID 116550854
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
1-(5-bromo-3-pyridinyl)-5-methoxypentan-2-one
CID 104798951
2-[(5-bromo-3-pyridinyl)methylsulfonyl]propanoic acid
CID 104797411
4-amino-4-(5-bromo-3-pyridinyl)butanoic acid
CID 84709705

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)butanoic acid?
The IUPAC name of 4-(5-bromo-3-pyridinyl)butanoic acid (CID 104813709) is 4-(5-bromo-3-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)butanoic acid?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)butanoic acid is O=C(O)CCCc1cncc(Br)c1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)butanoic acid?
The InChIKey is WQIBJNHPFKTJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-8-4-7(5-11-6-8)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13).
What are the key properties of 4-(5-bromo-3-pyridinyl)butanoic acid?
4-(5-bromo-3-pyridinyl)butanoic acid has a molecular weight of 244.09 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)butanoic acid is sourced from PubChem (CID 104813709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).