(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate

C19H14FIN4O3 — CID 67251550

IUPAC(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
SMILESO=C(NNOC(=O)c1ccncc1Nc1ccc(I)cc1F)c1ccccc1
InChIInChI=1S/C19H14FIN4O3/c20-15-10-13(21)6-7-16(15)23-17-11-22-9-8-14(17)19(27)28-25-24-18(26)12-4-2-1-3-5-12/h1-11,23,25H,(H,24,26)
InChIKeyYYTWQVMCFCWVJP-UHFFFAOYSA-N
MW492.25 g/mol
LogP3.58
Rot. Bonds6

About (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate

(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate (PubChem CID 67251550) has the molecular formula C19H14FIN4O3 and a molecular weight of 492.25 g/mol. Its IUPAC name is (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
PubChem CID67251550
Molecular FormulaC19H14FIN4O3
Molecular Weight492.25 g/mol
Exact Mass492.01
IUPAC Name(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
SMILESO=C(NNOC(=O)c1ccncc1Nc1ccc(I)cc1F)c1ccccc1
InChIInChI=1S/C19H14FIN4O3/c20-15-10-13(21)6-7-16(15)23-17-11-22-9-8-14(17)19(27)28-25-24-18(26)12-4-2-1-3-5-12/h1-11,23,25H,(H,24,26)
InChIKeyYYTWQVMCFCWVJP-UHFFFAOYSA-N
XLogP3.58
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.25
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
CID 11532734
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide
CID 143220424
ethyl 2-amino-2-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]hydrazinylidene]acetate
CID 68852573
N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide
CID 175848692
3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide
CID 11677348
tert-butyl 3-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538746
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68762552
tert-butyl 2-(2-fluoro-4-iodoanilino)benzoate
CID 154151526
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801

Frequently Asked Questions

What is the IUPAC name of (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate?
The IUPAC name of (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate (CID 67251550) is (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate.
What is the SMILES notation for (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate?
The canonical SMILES for (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate is O=C(NNOC(=O)c1ccncc1Nc1ccc(I)cc1F)c1ccccc1.
What is the InChIKey of (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate?
The InChIKey is YYTWQVMCFCWVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FIN4O3/c20-15-10-13(21)6-7-16(15)23-17-11-22-9-8-14(17)19(27)28-25-24-18(26)12-4-2-1-3-5-12/h1-11,23,25H,(H,24,26).
What are the key properties of (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate?
(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate has a molecular weight of 492.25 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate is sourced from PubChem (CID 67251550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).