4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine

C7H10ClFN2 — CID 146392520

IUPAC4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine
SMILESCC(C)C1=C(Cl)C=C(F)NN1
InChIInChI=1S/C7H10ClFN2/c1-4(2)7-5(8)3-6(9)10-11-7/h3-4,10-11H,1-2H3
InChIKeyIOMMYHDHHREZDG-UHFFFAOYSA-N
MW176.62 g/mol
LogP2.01
Rot. Bonds1

About 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine

4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine (PubChem CID 146392520) has the molecular formula C7H10ClFN2 and a molecular weight of 176.62 g/mol. Its IUPAC name is 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine.

Molecular Properties

Compound Name4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine
PubChem CID146392520
Molecular FormulaC7H10ClFN2
Molecular Weight176.62 g/mol
Exact Mass176.05
IUPAC Name4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine
SMILESCC(C)C1=C(Cl)C=C(F)NN1
InChIInChI=1S/C7H10ClFN2/c1-4(2)7-5(8)3-6(9)10-11-7/h3-4,10-11H,1-2H3
InChIKeyIOMMYHDHHREZDG-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine?
The IUPAC name of 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine (CID 146392520) is 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine.
What is the SMILES notation for 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine?
The canonical SMILES for 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine is CC(C)C1=C(Cl)C=C(F)NN1.
What is the InChIKey of 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine?
The InChIKey is IOMMYHDHHREZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2/c1-4(2)7-5(8)3-6(9)10-11-7/h3-4,10-11H,1-2H3.
What are the key properties of 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine?
4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine has a molecular weight of 176.62 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine is sourced from PubChem (CID 146392520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).