5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one

C13H13FIN3O2 — CID 68785672

IUPAC5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one
SMILESCOc1c(N)c(Nc2ccc(I)cc2F)[nH]c(=O)c1C
InChIInChI=1S/C13H13FIN3O2/c1-6-11(20-2)10(16)12(18-13(6)19)17-9-4-3-7(15)5-8(9)14/h3-5H,16H2,1-2H3,(H2,17,18,19)
InChIKeyRXQUFVFFMHQELH-UHFFFAOYSA-N
MW389.17 g/mol
LogP2.76
Rot. Bonds3

About 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one

5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one (PubChem CID 68785672) has the molecular formula C13H13FIN3O2 and a molecular weight of 389.17 g/mol. Its IUPAC name is 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one
PubChem CID68785672
Molecular FormulaC13H13FIN3O2
Molecular Weight389.17 g/mol
Exact Mass389.00
IUPAC Name5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one
SMILESCOc1c(N)c(Nc2ccc(I)cc2F)[nH]c(=O)c1C
InChIInChI=1S/C13H13FIN3O2/c1-6-11(20-2)10(16)12(18-13(6)19)17-9-4-3-7(15)5-8(9)14/h3-5H,16H2,1-2H3,(H2,17,18,19)
InChIKeyRXQUFVFFMHQELH-UHFFFAOYSA-N
XLogP2.76
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.17
LogP ≤ 52.76
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

ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate
CID 141423481
4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 174235320
4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one
CID 122606005
methyl 4-(2-fluoro-4-iodoanilino)-2-methyl-6-oxo-1,5-dihydropyridazine-3-carboxylate
CID 68807597
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692
3-fluoro-2-N-(2-fluoro-4-iodophenyl)-4-methoxy-6-prop-2-enoxybenzene-1,2-diamine
CID 86669369
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one
CID 140520700
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(3-fluorophenyl)cyclopropane-1-sulfonamide
CID 68794341
methyl 2-amino-5-(2-chloro-4-iodoanilino)-4-fluorobenzoate
CID 107607620

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one (CID 68785672) is 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one is COc1c(N)c(Nc2ccc(I)cc2F)[nH]c(=O)c1C.
What is the InChIKey of 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one?
The InChIKey is RXQUFVFFMHQELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN3O2/c1-6-11(20-2)10(16)12(18-13(6)19)17-9-4-3-7(15)5-8(9)14/h3-5H,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one?
5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one has a molecular weight of 389.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 68785672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).