3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide

C13H13FN4O — CID 143220406

IUPAC3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
SMILESCc1ccc(Nc2cnccc2C(=O)NN)c(F)c1
InChIInChI=1S/C13H13FN4O/c1-8-2-3-11(10(14)6-8)17-12-7-16-5-4-9(12)13(19)18-15/h2-7,17H,15H2,1H3,(H,18,19)
InChIKeyUYNXTKXPMPYGBC-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.88
Rot. Bonds3

About 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide

3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide (PubChem CID 143220406) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
PubChem CID143220406
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
SMILESCc1ccc(Nc2cnccc2C(=O)NN)c(F)c1
InChIInChI=1S/C13H13FN4O/c1-8-2-3-11(10(14)6-8)17-12-7-16-5-4-9(12)13(19)18-15/h2-7,17H,15H2,1H3,(H,18,19)
InChIKeyUYNXTKXPMPYGBC-UHFFFAOYSA-N
XLogP1.88
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide
CID 143220470
3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide
CID 67250791
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
CID 11532734
4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174690
4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174678
[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765
ethyl 2-amino-2-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]hydrazinylidene]acetate
CID 68852573
4-[(Z)-1-amino-2-hydrazinylethenyl]-N-(2-fluoro-5-methylphenyl)pyridin-3-amine
CID 167104533
3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 130376218
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978
4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174670

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide?
The IUPAC name of 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide (CID 143220406) is 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide.
What is the SMILES notation for 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide?
The canonical SMILES for 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide is Cc1ccc(Nc2cnccc2C(=O)NN)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide?
The InChIKey is UYNXTKXPMPYGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-2-3-11(10(14)6-8)17-12-7-16-5-4-9(12)13(19)18-15/h2-7,17H,15H2,1H3,(H,18,19).
What are the key properties of 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide?
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide has a molecular weight of 260.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide is sourced from PubChem (CID 143220406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).