5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid

C12H9FIN3O2 — CID 114261298

IUPAC5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid
SMILESNc1cnc(Nc2cccc(F)c2I)c(C(=O)O)c1
InChIInChI=1S/C12H9FIN3O2/c13-8-2-1-3-9(10(8)14)17-11-7(12(18)19)4-6(15)5-16-11/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyVOWXXSAFYKNLNW-UHFFFAOYSA-N
MW373.13 g/mol
LogP2.85
Rot. Bonds3

About 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid

5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid (PubChem CID 114261298) has the molecular formula C12H9FIN3O2 and a molecular weight of 373.13 g/mol. Its IUPAC name is 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid
PubChem CID114261298
Molecular FormulaC12H9FIN3O2
Molecular Weight373.13 g/mol
Exact Mass372.97
IUPAC Name5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid
SMILESNc1cnc(Nc2cccc(F)c2I)c(C(=O)O)c1
InChIInChI=1S/C12H9FIN3O2/c13-8-2-1-3-9(10(8)14)17-11-7(12(18)19)4-6(15)5-16-11/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyVOWXXSAFYKNLNW-UHFFFAOYSA-N
XLogP2.85
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.13
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114046976
5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid
CID 114047042
5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
CID 61359558
4-(2-fluoroanilino)pyrimidine-5-carboxylic acid
CID 28906049
3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
CID 79532373
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
5-amino-2-(2-fluoro-N-methylanilino)pyridine-3-carboxylic acid
CID 114047146
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
CID 103584436
5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114253860
2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid
CID 114260572
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid (CID 114261298) is 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid is Nc1cnc(Nc2cccc(F)c2I)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid?
The InChIKey is VOWXXSAFYKNLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FIN3O2/c13-8-2-1-3-9(10(8)14)17-11-7(12(18)19)4-6(15)5-16-11/h1-5H,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid?
5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid has a molecular weight of 373.13 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114261298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).