3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine

C14H22ClFN2 — CID 146377379

IUPAC3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine
SMILESCCCCCCC(C)(CC)c1cc(F)nnc1Cl
InChIInChI=1S/C14H22ClFN2/c1-4-6-7-8-9-14(3,5-2)11-10-12(16)17-18-13(11)15/h10H,4-9H2,1-3H3
InChIKeyBHYGNDQBJUELFT-UHFFFAOYSA-N
MW272.80 g/mol
LogP4.91
Rot. Bonds7

About 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine

3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine (PubChem CID 146377379) has the molecular formula C14H22ClFN2 and a molecular weight of 272.80 g/mol. Its IUPAC name is 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine
PubChem CID146377379
Molecular FormulaC14H22ClFN2
Molecular Weight272.80 g/mol
Exact Mass272.15
IUPAC Name3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine
SMILESCCCCCCC(C)(CC)c1cc(F)nnc1Cl
InChIInChI=1S/C14H22ClFN2/c1-4-6-7-8-9-14(3,5-2)11-10-12(16)17-18-13(11)15/h10H,4-9H2,1-3H3
InChIKeyBHYGNDQBJUELFT-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine?
The IUPAC name of 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine (CID 146377379) is 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine?
The canonical SMILES for 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine is CCCCCCC(C)(CC)c1cc(F)nnc1Cl.
What is the InChIKey of 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine?
The InChIKey is BHYGNDQBJUELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClFN2/c1-4-6-7-8-9-14(3,5-2)11-10-12(16)17-18-13(11)15/h10H,4-9H2,1-3H3.
What are the key properties of 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine?
3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine has a molecular weight of 272.80 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine is sourced from PubChem (CID 146377379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).