3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine

C11H9ClFN3 — CID 117106544

IUPAC3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine
SMILESNc1cc(Cc2cccc(F)c2)nnc1Cl
InChIInChI=1S/C11H9ClFN3/c12-11-10(14)6-9(15-16-11)5-7-2-1-3-8(13)4-7/h1-4,6H,5H2,(H2,14,15)
InChIKeyWKXNPLAMSWXFBV-UHFFFAOYSA-N
MW237.67 g/mol
LogP2.44
Rot. Bonds2

About 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine

3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine (PubChem CID 117106544) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine
PubChem CID117106544
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine
SMILESNc1cc(Cc2cccc(F)c2)nnc1Cl
InChIInChI=1S/C11H9ClFN3/c12-11-10(14)6-9(15-16-11)5-7-2-1-3-8(13)4-7/h1-4,6H,5H2,(H2,14,15)
InChIKeyWKXNPLAMSWXFBV-UHFFFAOYSA-N
XLogP2.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-phenylpyridazine
CID 88515
3-Chloro-6-(2-methylbenzyl)pyridazine
CID 6404653
3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 16105484
3-Benzyl-6-chloropyridazine
CID 6404535
3-Chloro-6-(4-methylphenyl)pyridazine
CID 2775558
3-Chloro-6-[(3-methylphenyl)methyl]pyridazine
CID 6404581
3-Chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 12449552
3-Chloro-6-(4-fluorophenyl)pyridazine
CID 6422444
3-Chloro-6-(2-fluorobenzyl)pyridazine
CID 6404571
3-Chloro-6-[(3-chlorophenyl)methyl]pyridazine
CID 6404590
6-Chloro-4-methyl-3-phenylpyridazine
CID 6409790
6-Chloro-3-methyl-4-phenylpyridazine
CID 13735309

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine?
The IUPAC name of 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine (CID 117106544) is 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine is Nc1cc(Cc2cccc(F)c2)nnc1Cl.
What is the InChIKey of 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine?
The InChIKey is WKXNPLAMSWXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-11-10(14)6-9(15-16-11)5-7-2-1-3-8(13)4-7/h1-4,6H,5H2,(H2,14,15).
What are the key properties of 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine?
3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine has a molecular weight of 237.67 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-fluorophenyl)methyl]pyridazin-4-amine is sourced from PubChem (CID 117106544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).