4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one

C14H14FIN2O — CID 122606005

IUPAC4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one
SMILESCc1cn(C)c(=O)c(C)c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H14FIN2O/c1-8-7-18(3)14(19)9(2)13(8)17-12-5-4-10(16)6-11(12)15/h4-7,17H,1-3H3
InChIKeyVLNCHKHHLPNAKF-UHFFFAOYSA-N
MW372.18 g/mol
LogP3.49
Rot. Bonds2

About 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one

4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one (PubChem CID 122606005) has the molecular formula C14H14FIN2O and a molecular weight of 372.18 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one
PubChem CID122606005
Molecular FormulaC14H14FIN2O
Molecular Weight372.18 g/mol
Exact Mass372.01
IUPAC Name4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one
SMILESCc1cn(C)c(=O)c(C)c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H14FIN2O/c1-8-7-18(3)14(19)9(2)13(8)17-12-5-4-10(16)6-11(12)15/h4-7,17H,1-3H3
InChIKeyVLNCHKHHLPNAKF-UHFFFAOYSA-N
XLogP3.49
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16666565
4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 174235320
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16667254
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 169436317
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68792846
5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one
CID 68785672
6-(2-fluoro-4-iodoanilino)-2,5-dimethyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 140595554
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-2,5-dimethylfuran-3-sulfonamide
CID 53492157
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide
CID 70828436

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one (CID 122606005) is 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one is Cc1cn(C)c(=O)c(C)c1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one?
The InChIKey is VLNCHKHHLPNAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2O/c1-8-7-18(3)14(19)9(2)13(8)17-12-5-4-10(16)6-11(12)15/h4-7,17H,1-3H3.
What are the key properties of 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one?
4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one has a molecular weight of 372.18 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one is sourced from PubChem (CID 122606005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).