3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine

C12H10ClFN2O — CID 162738816

IUPAC3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine
SMILESCOc1ccc(Cc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C12H10ClFN2O/c1-17-12-5-4-10(15-16-12)6-8-2-3-9(13)7-11(8)14/h2-5,7H,6H2,1H3
InChIKeyGALPIOLHSBLTLM-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.87
Rot. Bonds3

About 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine

3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine (PubChem CID 162738816) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine
PubChem CID162738816
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine
SMILESCOc1ccc(Cc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C12H10ClFN2O/c1-17-12-5-4-10(15-16-12)6-8-2-3-9(13)7-11(8)14/h2-5,7H,6H2,1H3
InChIKeyGALPIOLHSBLTLM-UHFFFAOYSA-N
XLogP2.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine (CID 162738816) is 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine is COc1ccc(Cc2ccc(Cl)cc2F)nn1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine?
The InChIKey is GALPIOLHSBLTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-17-12-5-4-10(15-16-12)6-8-2-3-9(13)7-11(8)14/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine?
3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine has a molecular weight of 252.68 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methyl]-6-methoxypyridazine is sourced from PubChem (CID 162738816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).