N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide

C12H10F2N4O2 — CID 118039690

IUPACN'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NNc2ccc(F)nc2F)ccc1=O
InChIInChI=1S/C12H10F2N4O2/c1-18-6-7(2-5-10(18)19)12(20)17-16-8-3-4-9(13)15-11(8)14/h2-6,16H,1H3,(H,17,20)
InChIKeyAPMGJYJDJFXNSX-UHFFFAOYSA-N
MW280.23 g/mol
LogP0.82
Rot. Bonds3

About N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide

N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide (PubChem CID 118039690) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
PubChem CID118039690
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC NameN'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NNc2ccc(F)nc2F)ccc1=O
InChIInChI=1S/C12H10F2N4O2/c1-18-6-7(2-5-10(18)19)12(20)17-16-8-3-4-9(13)15-11(8)14/h2-6,16H,1H3,(H,17,20)
InChIKeyAPMGJYJDJFXNSX-UHFFFAOYSA-N
XLogP0.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 50.82
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'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide (CID 118039690) is N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide is Cn1cc(C(=O)NNc2ccc(F)nc2F)ccc1=O.
What is the InChIKey of N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The InChIKey is APMGJYJDJFXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c1-18-6-7(2-5-10(18)19)12(20)17-16-8-3-4-9(13)15-11(8)14/h2-6,16H,1H3,(H,17,20).
What are the key properties of N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide has a molecular weight of 280.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluoro-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 118039690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).