4-(6-iodo-3-pyridinyl)butanoic acid

C9H10INO2 — CID 134406109

IUPAC4-(6-iodo-3-pyridinyl)butanoic acid
SMILESO=C(O)CCCc1ccc(I)nc1
InChIInChI=1S/C9H10INO2/c10-8-5-4-7(6-11-8)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13)
InChIKeyAPIQEJQLCLTNFM-UHFFFAOYSA-N
MW291.09 g/mol
LogP2.09
Rot. Bonds4

About 4-(6-iodo-3-pyridinyl)butanoic acid

4-(6-iodo-3-pyridinyl)butanoic acid (PubChem CID 134406109) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 4-(6-iodo-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(6-iodo-3-pyridinyl)butanoic acid
PubChem CID134406109
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name4-(6-iodo-3-pyridinyl)butanoic acid
SMILESO=C(O)CCCc1ccc(I)nc1
InChIInChI=1S/C9H10INO2/c10-8-5-4-7(6-11-8)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13)
InChIKeyAPIQEJQLCLTNFM-UHFFFAOYSA-N
XLogP2.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-iodophenyl)butanoic acid
CID 4645427
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(1,2-oxazol-4-yl)butanoic acid
CID 45099096
4-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]butanoic acid
CID 70191963
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
5-[4-(6-chloro-3-pyridinyl)butylamino]-5-oxopentanoic acid
CID 123511597
4-[4-(2-oxo-2-pyrazin-2-ylethyl)phenyl]butanoic acid
CID 159253452
5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid
CID 174523049
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
4-(4-isocyanophenyl)butanoic acid
CID 58502572
[4-(3-carboxypropyl)phenyl]-methylazanide
CID 58832285
4-[4-[(dimethylamino)methyl]phenyl]butanoic acid
CID 117316229

Frequently Asked Questions

What is the IUPAC name of 4-(6-iodo-3-pyridinyl)butanoic acid?
The IUPAC name of 4-(6-iodo-3-pyridinyl)butanoic acid (CID 134406109) is 4-(6-iodo-3-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(6-iodo-3-pyridinyl)butanoic acid?
The canonical SMILES for 4-(6-iodo-3-pyridinyl)butanoic acid is O=C(O)CCCc1ccc(I)nc1.
What is the InChIKey of 4-(6-iodo-3-pyridinyl)butanoic acid?
The InChIKey is APIQEJQLCLTNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c10-8-5-4-7(6-11-8)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13).
What are the key properties of 4-(6-iodo-3-pyridinyl)butanoic acid?
4-(6-iodo-3-pyridinyl)butanoic acid has a molecular weight of 291.09 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-iodo-3-pyridinyl)butanoic acid is sourced from PubChem (CID 134406109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).