N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide

C12H11FN4O2 — CID 118039656

IUPACN'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NNc2ccc(F)nc2)ccc1=O
InChIInChI=1S/C12H11FN4O2/c1-17-7-8(2-5-11(17)18)12(19)16-15-9-3-4-10(13)14-6-9/h2-7,15H,1H3,(H,16,19)
InChIKeyMAVMFDKZVRPAQL-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.68
Rot. Bonds3

About N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide

N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide (PubChem CID 118039656) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
PubChem CID118039656
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC NameN'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NNc2ccc(F)nc2)ccc1=O
InChIInChI=1S/C12H11FN4O2/c1-17-7-8(2-5-11(17)18)12(19)16-15-9-3-4-10(13)14-6-9/h2-7,15H,1H3,(H,16,19)
InChIKeyMAVMFDKZVRPAQL-UHFFFAOYSA-N
XLogP0.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide (CID 118039656) is N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide is Cn1cc(C(=O)NNc2ccc(F)nc2)ccc1=O.
What is the InChIKey of N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The InChIKey is MAVMFDKZVRPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-17-7-8(2-5-11(17)18)12(19)16-15-9-3-4-10(13)14-6-9/h2-7,15H,1H3,(H,16,19).
What are the key properties of N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide has a molecular weight of 262.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 118039656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).