5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide

C13H8Cl2FN3O2 — CID 2087408

IUPAC5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2FN3O2/c14-9-5-7(6-17-11(9)15)12(20)18-19-13(21)8-3-1-2-4-10(8)16/h1-6H,(H,18,20)(H,19,21)
InChIKeyNBCHGHLRNISDIK-UHFFFAOYSA-N
MW328.13 g/mol
LogP2.60
Rot. Bonds2

About 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide

5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide (PubChem CID 2087408) has the molecular formula C13H8Cl2FN3O2 and a molecular weight of 328.13 g/mol. Its IUPAC name is 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
PubChem CID2087408
Molecular FormulaC13H8Cl2FN3O2
Molecular Weight328.13 g/mol
Exact Mass327.00
IUPAC Name5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2FN3O2/c14-9-5-7(6-17-11(9)15)12(20)18-19-13(21)8-3-1-2-4-10(8)16/h1-6H,(H,18,20)(H,19,21)
InChIKeyNBCHGHLRNISDIK-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 52.60
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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Related Compounds

N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
5,6-dichloro-N'-[2-(4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 24634545
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
CID 49156531
7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 9427736
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
5,6-dichloro-N-(6-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 113462599
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2124994
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide (CID 2087408) is 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is NBCHGHLRNISDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3O2/c14-9-5-7(6-17-11(9)15)12(20)18-19-13(21)8-3-1-2-4-10(8)16/h1-6H,(H,18,20)(H,19,21).
What are the key properties of 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide?
5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 328.13 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 2087408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).