3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide

C19H16FIN4O — CID 11532734

IUPAC3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
SMILESCc1ccc(NNC(=O)c2ccncc2Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C19H16FIN4O/c1-12-2-5-14(6-3-12)24-25-19(26)15-8-9-22-11-18(15)23-17-7-4-13(21)10-16(17)20/h2-11,23-24H,1H3,(H,25,26)
InChIKeyQHSZVDPESXGPJW-UHFFFAOYSA-N
MW462.27 g/mol
LogP4.63
Rot. Bonds5

About 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide

3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide (PubChem CID 11532734) has the molecular formula C19H16FIN4O and a molecular weight of 462.27 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
PubChem CID11532734
Molecular FormulaC19H16FIN4O
Molecular Weight462.27 g/mol
Exact Mass462.04
IUPAC Name3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
SMILESCc1ccc(NNC(=O)c2ccncc2Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C19H16FIN4O/c1-12-2-5-14(6-3-12)24-25-19(26)15-8-9-22-11-18(15)23-17-7-4-13(21)10-16(17)20/h2-11,23-24H,1H3,(H,25,26)
InChIKeyQHSZVDPESXGPJW-UHFFFAOYSA-N
XLogP4.63
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.27
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methylanilino)pyridine-4-carbohydrazide
CID 143220406
(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67251550
ethyl 2-amino-2-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]hydrazinylidene]acetate
CID 68852573
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
tert-butyl 3-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538746
3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide
CID 143220424
3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide
CID 143220470
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692
ethyl 3-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1H-1,2,4-triazole-5-carboxylate
CID 59026787
[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid
CID 141187122

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide (CID 11532734) is 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide is Cc1ccc(NNC(=O)c2ccncc2Nc2ccc(I)cc2F)cc1.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide?
The InChIKey is QHSZVDPESXGPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FIN4O/c1-12-2-5-14(6-3-12)24-25-19(26)15-8-9-22-11-18(15)23-17-7-4-13(21)10-16(17)20/h2-11,23-24H,1H3,(H,25,26).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide?
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide has a molecular weight of 462.27 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 11532734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).