2-(5-iodopyrimidin-4-yl)pentanoic acid

C9H11IN2O2 — CID 104572036

IUPAC2-(5-iodopyrimidin-4-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ncncc1I
InChIInChI=1S/C9H11IN2O2/c1-2-3-6(9(13)14)8-7(10)4-11-5-12-8/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyIKYDPBTXOPYOBW-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.05
Rot. Bonds4

About 2-(5-iodopyrimidin-4-yl)pentanoic acid

2-(5-iodopyrimidin-4-yl)pentanoic acid (PubChem CID 104572036) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 2-(5-iodopyrimidin-4-yl)pentanoic acid.

Molecular Properties

Compound Name2-(5-iodopyrimidin-4-yl)pentanoic acid
PubChem CID104572036
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name2-(5-iodopyrimidin-4-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ncncc1I
InChIInChI=1S/C9H11IN2O2/c1-2-3-6(9(13)14)8-7(10)4-11-5-12-8/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyIKYDPBTXOPYOBW-UHFFFAOYSA-N
XLogP2.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid
CID 104571680
2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
2-(5-iodopyrimidin-4-yl)pentan-3-amine
CID 66318900
4-(3-chlorobutan-2-yl)-5-iodopyrimidine
CID 66318463
1-(5-iodopyrimidin-4-yl)butan-2-one
CID 66318885
(2R)-2-acetamido-3-(5-iodopyrimidin-4-yl)sulfanylpropanoic acid
CID 107775365
2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid
CID 104571916
barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride
CID 173067684
2-(1H-imidazol-2-yl)pentanoic acid
CID 122588172
2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid
CID 104734431
2-(6-oxo-5H-pteridin-7-yl)butanoic acid
CID 57375112
(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 125041047

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodopyrimidin-4-yl)pentanoic acid?
The IUPAC name of 2-(5-iodopyrimidin-4-yl)pentanoic acid (CID 104572036) is 2-(5-iodopyrimidin-4-yl)pentanoic acid.
What is the SMILES notation for 2-(5-iodopyrimidin-4-yl)pentanoic acid?
The canonical SMILES for 2-(5-iodopyrimidin-4-yl)pentanoic acid is CCCC(C(=O)O)c1ncncc1I.
What is the InChIKey of 2-(5-iodopyrimidin-4-yl)pentanoic acid?
The InChIKey is IKYDPBTXOPYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c1-2-3-6(9(13)14)8-7(10)4-11-5-12-8/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-(5-iodopyrimidin-4-yl)pentanoic acid?
2-(5-iodopyrimidin-4-yl)pentanoic acid has a molecular weight of 306.10 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodopyrimidin-4-yl)pentanoic acid is sourced from PubChem (CID 104572036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).