4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid

C6H4ClIN2O2 — CID 142395215

IUPAC4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid
SMILESCc1nc(C(=O)O)nc(Cl)c1I
InChIInChI=1S/C6H4ClIN2O2/c1-2-3(8)4(7)10-5(9-2)6(11)12/h1H3,(H,11,12)
InChIKeyJUDHSGVUQQBJBO-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.74
Rot. Bonds1

About 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid

4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid (PubChem CID 142395215) has the molecular formula C6H4ClIN2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid
PubChem CID142395215
Molecular FormulaC6H4ClIN2O2
Molecular Weight298.47 g/mol
Exact Mass297.90
IUPAC Name4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid
SMILESCc1nc(C(=O)O)nc(Cl)c1I
InChIInChI=1S/C6H4ClIN2O2/c1-2-3(8)4(7)10-5(9-2)6(11)12/h1H3,(H,11,12)
InChIKeyJUDHSGVUQQBJBO-UHFFFAOYSA-N
XLogP1.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid?
The IUPAC name of 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid (CID 142395215) is 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid is Cc1nc(C(=O)O)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid?
The InChIKey is JUDHSGVUQQBJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIN2O2/c1-2-3(8)4(7)10-5(9-2)6(11)12/h1H3,(H,11,12).
What are the key properties of 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid?
4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid has a molecular weight of 298.47 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 142395215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).