4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid

C13H7Cl2IN2O3 — CID 63651080

IUPAC4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2I)ccn1
InChIInChI=1S/C13H7Cl2IN2O3/c14-6-3-8(11(16)9(15)4-6)12(19)18-7-1-2-17-10(5-7)13(20)21/h1-5H,(H,20,21)(H,17,18,19)
InChIKeyOQGVKHADJYHQKU-UHFFFAOYSA-N
MW437.02 g/mol
LogP3.94
Rot. Bonds3

About 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid

4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 63651080) has the molecular formula C13H7Cl2IN2O3 and a molecular weight of 437.02 g/mol. Its IUPAC name is 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID63651080
Molecular FormulaC13H7Cl2IN2O3
Molecular Weight437.02 g/mol
Exact Mass435.89
IUPAC Name4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2I)ccn1
InChIInChI=1S/C13H7Cl2IN2O3/c14-6-3-8(11(16)9(15)4-6)12(19)18-7-1-2-17-10(5-7)13(20)21/h1-5H,(H,20,21)(H,17,18,19)
InChIKeyOQGVKHADJYHQKU-UHFFFAOYSA-N
XLogP3.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.02
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide
CID 60630083
4-[(5-chlorofuran-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55244586
4-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 107674896
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651193
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107605941
4-[(2-hydroxy-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63650620
3,5-dichloro-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110763061
4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid
CID 43326079

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid (CID 63651080) is 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2I)ccn1.
What is the InChIKey of 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is OQGVKHADJYHQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2IN2O3/c14-6-3-8(11(16)9(15)4-6)12(19)18-7-1-2-17-10(5-7)13(20)21/h1-5H,(H,20,21)(H,17,18,19).
What are the key properties of 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid?
4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 437.02 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).