3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid

C12H8ClIN2O2 — CID 28976726

IUPAC3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2ccc(I)cc2)ccc1Cl
InChIInChI=1S/C12H8ClIN2O2/c13-9-5-6-10(16-11(9)12(17)18)15-8-3-1-7(14)2-4-8/h1-6H,(H,15,16)(H,17,18)
InChIKeySHLBNCLPWQBUKL-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.78
Rot. Bonds3

About 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid

3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid (PubChem CID 28976726) has the molecular formula C12H8ClIN2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
PubChem CID28976726
Molecular FormulaC12H8ClIN2O2
Molecular Weight374.57 g/mol
Exact Mass373.93
IUPAC Name3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2ccc(I)cc2)ccc1Cl
InChIInChI=1S/C12H8ClIN2O2/c13-9-5-6-10(16-11(9)12(17)18)15-8-3-1-7(14)2-4-8/h1-6H,(H,15,16)(H,17,18)
InChIKeySHLBNCLPWQBUKL-UHFFFAOYSA-N
XLogP3.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.78
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

6-(3-bromo-4-iodoanilino)-3-chloropyridine-2-carboxylic acid
CID 114262232
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29038766
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
2-(4-iodoanilino)quinoline-4-carboxylic acid
CID 43154791
3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
CID 107799280

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid (CID 28976726) is 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid is O=C(O)c1nc(Nc2ccc(I)cc2)ccc1Cl.
What is the InChIKey of 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid?
The InChIKey is SHLBNCLPWQBUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIN2O2/c13-9-5-6-10(16-11(9)12(17)18)15-8-3-1-7(14)2-4-8/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid?
3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid has a molecular weight of 374.57 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 28976726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).