N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide

C11H8Cl2FN5O — CID 107578968

IUPACN-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)nn1
InChIInChI=1S/C11H8Cl2FN5O/c12-6-3-5(4-7(13)10(6)14)16-11(20)8-1-2-9(17-15)19-18-8/h1-4H,15H2,(H,16,20)(H,17,19)
InChIKeyQVPBCGFNHDWQSX-UHFFFAOYSA-N
MW316.12 g/mol
LogP2.46
Rot. Bonds3

About N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide

N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide (PubChem CID 107578968) has the molecular formula C11H8Cl2FN5O and a molecular weight of 316.12 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
PubChem CID107578968
Molecular FormulaC11H8Cl2FN5O
Molecular Weight316.12 g/mol
Exact Mass315.01
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)nn1
InChIInChI=1S/C11H8Cl2FN5O/c12-6-3-5(4-7(13)10(6)14)16-11(20)8-1-2-9(17-15)19-18-8/h1-4H,15H2,(H,16,20)(H,17,19)
InChIKeyQVPBCGFNHDWQSX-UHFFFAOYSA-N
XLogP2.46
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62249751
3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107578975
6-hydrazinyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 62242357
6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide
CID 107590030
N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776
N-(2-chloro-4-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107606112
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 114261584
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107616833
6-hydrazinyl-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 55051032

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide (CID 107578968) is N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide is NNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)nn1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The InChIKey is QVPBCGFNHDWQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN5O/c12-6-3-5(4-7(13)10(6)14)16-11(20)8-1-2-9(17-15)19-18-8/h1-4H,15H2,(H,16,20)(H,17,19).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide has a molecular weight of 316.12 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide is sourced from PubChem (CID 107578968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).