4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid

C13H8ClIN2O3 — CID 107605941

IUPAC4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H8ClIN2O3/c14-9-6-8(15)1-2-10(9)17-12(18)7-3-4-16-11(5-7)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyVMMMFRVUEUOQGD-UHFFFAOYSA-N
MW402.58 g/mol
LogP3.29
Rot. Bonds3

About 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid

4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 107605941) has the molecular formula C13H8ClIN2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID107605941
Molecular FormulaC13H8ClIN2O3
Molecular Weight402.58 g/mol
Exact Mass401.93
IUPAC Name4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H8ClIN2O3/c14-9-6-8(15)1-2-10(9)17-12(18)7-3-4-16-11(5-7)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyVMMMFRVUEUOQGD-UHFFFAOYSA-N
XLogP3.29
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600
N-(2,4-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083093
6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide
CID 61052994
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
2-N-(2-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092591
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
2-N-cyclohexyl-4-N-(2,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081635
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid (CID 107605941) is 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1ccc(I)cc1Cl)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is VMMMFRVUEUOQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2O3/c14-9-6-8(15)1-2-10(9)17-12(18)7-3-4-16-11(5-7)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid?
4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 402.58 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107605941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).