4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine

C19H14F4IN3 — CID 170699959

IUPAC4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine
SMILESCc1cc(Cc2ccnc(N)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C19H14F4IN3/c1-9-6-11(7-10-4-5-26-19(25)16(10)22)15(21)17(23)18(9)27-14-3-2-12(24)8-13(14)20/h2-6,8,27H,7H2,1H3,(H2,25,26)
InChIKeyBPVVZICFYJSQTK-UHFFFAOYSA-N
MW487.24 g/mol
LogP5.47
Rot. Bonds4

About 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine

4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine (PubChem CID 170699959) has the molecular formula C19H14F4IN3 and a molecular weight of 487.24 g/mol. Its IUPAC name is 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine
PubChem CID170699959
Molecular FormulaC19H14F4IN3
Molecular Weight487.24 g/mol
Exact Mass487.02
IUPAC Name4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine
SMILESCc1cc(Cc2ccnc(N)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C19H14F4IN3/c1-9-6-11(7-10-4-5-26-19(25)16(10)22)15(21)17(23)18(9)27-14-3-2-12(24)8-13(14)20/h2-6,8,27H,7H2,1H3,(H2,25,26)
InChIKeyBPVVZICFYJSQTK-UHFFFAOYSA-N
XLogP5.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.24
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine with MolForge

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Related Compounds

5-[(2-amino-3-fluoro-4-pyridinyl)methyl]-N-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 156808935
5-[(2-amino-3-fluoro-4-pyridinyl)methyl]-N-[(2R)-but-3-yn-2-yl]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 170699938
5-[(2-amino-3-fluoro-4-pyridinyl)methyl]-N-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 166677302
5-[(2-amino-3-fluoro-4-pyridinyl)methyl]-2-(4-ethynyl-2-fluoroanilino)-3,4-difluorobenzaldehyde
CID 175540673
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-[2-methoxyethyl(sulfamoyl)amino]-4-pyridinyl]methyl]benzamide
CID 175291124
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-N'-propan-2-ylbenzohydrazide
CID 177168327
3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
CID 174161470
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-N'-prop-2-ynylbenzohydrazide
CID 177168338
N-[(1R)-2,2-difluorocyclopropyl]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 175699256
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[2-[[methyl-(methylamino)-oxo-λ6-sulfanylidene]amino]-4-pyridinyl]methyl]benzamide
CID 156808969
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methanesulfonamido)phenyl]methyl]-N-methoxybenzamide
CID 156808803

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine?
The IUPAC name of 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine (CID 170699959) is 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine is Cc1cc(Cc2ccnc(N)c2F)c(F)c(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine?
The InChIKey is BPVVZICFYJSQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4IN3/c1-9-6-11(7-10-4-5-26-19(25)16(10)22)15(21)17(23)18(9)27-14-3-2-12(24)8-13(14)20/h2-6,8,27H,7H2,1H3,(H2,25,26).
What are the key properties of 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine?
4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine has a molecular weight of 487.24 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 170699959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).