3,6-dichloropyridine-2-carbohydrazide

C6H5Cl2N3O — CID 45278328

IUPAC3,6-dichloropyridine-2-carbohydrazide
SMILESNNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H5Cl2N3O/c7-3-1-2-4(8)10-5(3)6(12)11-9/h1-2H,9H2,(H,11,12)
InChIKeyFGBOJFXITSZYAA-UHFFFAOYSA-N
MW206.03 g/mol
LogP0.99
Rot. Bonds1

About 3,6-dichloropyridine-2-carbohydrazide

3,6-dichloropyridine-2-carbohydrazide (PubChem CID 45278328) has the molecular formula C6H5Cl2N3O and a molecular weight of 206.03 g/mol. Its IUPAC name is 3,6-dichloropyridine-2-carbohydrazide.

Molecular Properties

Compound Name3,6-dichloropyridine-2-carbohydrazide
PubChem CID45278328
Molecular FormulaC6H5Cl2N3O
Molecular Weight206.03 g/mol
Exact Mass204.98
IUPAC Name3,6-dichloropyridine-2-carbohydrazide
SMILESNNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H5Cl2N3O/c7-3-1-2-4(8)10-5(3)6(12)11-9/h1-2H,9H2,(H,11,12)
InChIKeyFGBOJFXITSZYAA-UHFFFAOYSA-N
XLogP0.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
CID 26643522
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 32898227
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79249197
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998
N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide
CID 39280839
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107170
3,6-dichloro-N-[(4-hydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 111484832
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 65107168

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloropyridine-2-carbohydrazide?
The IUPAC name of 3,6-dichloropyridine-2-carbohydrazide (CID 45278328) is 3,6-dichloropyridine-2-carbohydrazide.
What is the SMILES notation for 3,6-dichloropyridine-2-carbohydrazide?
The canonical SMILES for 3,6-dichloropyridine-2-carbohydrazide is NNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloropyridine-2-carbohydrazide?
The InChIKey is FGBOJFXITSZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O/c7-3-1-2-4(8)10-5(3)6(12)11-9/h1-2H,9H2,(H,11,12).
What are the key properties of 3,6-dichloropyridine-2-carbohydrazide?
3,6-dichloropyridine-2-carbohydrazide has a molecular weight of 206.03 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridine-2-carbohydrazide is sourced from PubChem (CID 45278328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).