6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid

C12H7Cl2IN2O2 — CID 114260422

IUPAC6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Nc1cc(I)ccc1Cl
InChIInChI=1S/C12H7Cl2IN2O2/c13-8-3-1-6(15)5-9(8)16-11-7(12(18)19)2-4-10(14)17-11/h1-5H,(H,16,17)(H,18,19)
InChIKeyPPSKTBBUBZFCSL-UHFFFAOYSA-N
MW409.01 g/mol
LogP4.43
Rot. Bonds3

About 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid

6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid (PubChem CID 114260422) has the molecular formula C12H7Cl2IN2O2 and a molecular weight of 409.01 g/mol. Its IUPAC name is 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid
PubChem CID114260422
Molecular FormulaC12H7Cl2IN2O2
Molecular Weight409.01 g/mol
Exact Mass407.89
IUPAC Name6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Nc1cc(I)ccc1Cl
InChIInChI=1S/C12H7Cl2IN2O2/c13-8-3-1-6(15)5-9(8)16-11-7(12(18)19)2-4-10(14)17-11/h1-5H,(H,16,17)(H,18,19)
InChIKeyPPSKTBBUBZFCSL-UHFFFAOYSA-N
XLogP4.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.01
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-chloro-2-(4-chloro-2-iodoanilino)pyridine-3-carboxylic acid
CID 107636188
6-chloro-2-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 55224523
6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 63537975
6-chloro-2-(3-chloro-2-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 155300840
6-chloro-2-[2-(difluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid
CID 63529030
6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645109
6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid
CID 63376482
6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114256022
6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 63380401
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
CID 65313622
6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114093940

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid (CID 114260422) is 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1Nc1cc(I)ccc1Cl.
What is the InChIKey of 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid?
The InChIKey is PPSKTBBUBZFCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2IN2O2/c13-8-3-1-6(15)5-9(8)16-11-7(12(18)19)2-4-10(14)17-11/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid?
6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid has a molecular weight of 409.01 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114260422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).