N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide

C12H8ClF2N3O — CID 1482436

IUPACN'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide
SMILESO=C(NNc1cccc(Cl)n1)c1c(F)cccc1F
InChIInChI=1S/C12H8ClF2N3O/c13-9-5-2-6-10(16-9)17-18-12(19)11-7(14)3-1-4-8(11)15/h1-6H,(H,16,17)(H,18,19)
InChIKeyIWZFGZSUNIDJDG-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.77
Rot. Bonds3

About N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide

N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide (PubChem CID 1482436) has the molecular formula C12H8ClF2N3O and a molecular weight of 283.67 g/mol. Its IUPAC name is N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide
PubChem CID1482436
Molecular FormulaC12H8ClF2N3O
Molecular Weight283.67 g/mol
Exact Mass283.03
IUPAC NameN'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide
SMILESO=C(NNc1cccc(Cl)n1)c1c(F)cccc1F
InChIInChI=1S/C12H8ClF2N3O/c13-9-5-2-6-10(16-9)17-18-12(19)11-7(14)3-1-4-8(11)15/h1-6H,(H,16,17)(H,18,19)
InChIKeyIWZFGZSUNIDJDG-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide?
The IUPAC name of N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide (CID 1482436) is N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide.
What is the SMILES notation for N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide?
The canonical SMILES for N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide is O=C(NNc1cccc(Cl)n1)c1c(F)cccc1F.
What is the InChIKey of N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide?
The InChIKey is IWZFGZSUNIDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O/c13-9-5-2-6-10(16-9)17-18-12(19)11-7(14)3-1-4-8(11)15/h1-6H,(H,16,17)(H,18,19).
What are the key properties of N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide?
N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide has a molecular weight of 283.67 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzohydrazide is sourced from PubChem (CID 1482436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).