5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid

C12H9ClFIN4O2 — CID 150018018

IUPAC5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid
SMILESNNc1ncc(Cl)c(Nc2ccc(I)cc2F)c1C(=O)O
InChIInChI=1S/C12H9ClFIN4O2/c13-6-4-17-11(19-16)9(12(20)21)10(6)18-8-2-1-5(15)3-7(8)14/h1-4H,16H2,(H,20,21)(H2,17,18,19)
InChIKeyDERDFTMBZWQFPL-UHFFFAOYSA-N
MW422.59 g/mol
LogP3.21
Rot. Bonds4

About 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid

5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid (PubChem CID 150018018) has the molecular formula C12H9ClFIN4O2 and a molecular weight of 422.59 g/mol. Its IUPAC name is 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid
PubChem CID150018018
Molecular FormulaC12H9ClFIN4O2
Molecular Weight422.59 g/mol
Exact Mass421.94
IUPAC Name5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid
SMILESNNc1ncc(Cl)c(Nc2ccc(I)cc2F)c1C(=O)O
InChIInChI=1S/C12H9ClFIN4O2/c13-6-4-17-11(19-16)9(12(20)21)10(6)18-8-2-1-5(15)3-7(8)14/h1-4H,16H2,(H,20,21)(H2,17,18,19)
InChIKeyDERDFTMBZWQFPL-UHFFFAOYSA-N
XLogP3.21
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
CID 66853447
4-tert-butyl-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
CID 135382524
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 174235320
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
3,4,6-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid
CID 22226015
3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 59596445
5-chloro-4-(2-fluoro-4-iodoanilino)-1-(iodomethyl)-6-oxopyridazine-3-carboxamide
CID 67381015
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671
2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064
2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 174673657

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid (CID 150018018) is 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid is NNc1ncc(Cl)c(Nc2ccc(I)cc2F)c1C(=O)O.
What is the InChIKey of 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid?
The InChIKey is DERDFTMBZWQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFIN4O2/c13-6-4-17-11(19-16)9(12(20)21)10(6)18-8-2-1-5(15)3-7(8)14/h1-4H,16H2,(H,20,21)(H2,17,18,19).
What are the key properties of 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid?
5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid has a molecular weight of 422.59 g/mol, XLogP of 3.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluoro-4-iodoanilino)-2-hydrazinylpyridine-3-carboxylic acid is sourced from PubChem (CID 150018018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).