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

C12H10ClFN2O — CID 117106734

IUPAC4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine
SMILESCOc1nnc(Cc2ccccc2F)cc1Cl
InChIInChI=1S/C12H10ClFN2O/c1-17-12-10(13)7-9(15-16-12)6-8-4-2-3-5-11(8)14/h2-5,7H,6H2,1H3
InChIKeyJNQXELXPPXEJIJ-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.87
Rot. Bonds3

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

4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine (PubChem CID 117106734) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine.

Molecular Properties

Compound Name4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine
PubChem CID117106734
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine
SMILESCOc1nnc(Cc2ccccc2F)cc1Cl
InChIInChI=1S/C12H10ClFN2O/c1-17-12-10(13)7-9(15-16-12)6-8-4-2-3-5-11(8)14/h2-5,7H,6H2,1H3
InChIKeyJNQXELXPPXEJIJ-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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Related Compounds

4-chloro-6-(2-fluorophenyl)-3-methoxypyridazine
CID 117107091
1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine
CID 82666098
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82772326
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(2-fluorophenyl)methyl]pyridine-4-carboxylate
CID 159589260
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43552162
1-[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]-N-methylmethanamine
CID 63936765
2-[(2-fluorophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135034
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047929
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
2-[(2-fluorophenyl)methyl]-6-methoxyimidazo[1,2-a]pyridine
CID 117130419
3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine
CID 168947989

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine?
The IUPAC name of 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine (CID 117106734) is 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine.
What is the SMILES notation for 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine?
The canonical SMILES for 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine is COc1nnc(Cc2ccccc2F)cc1Cl.
What is the InChIKey of 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine?
The InChIKey is JNQXELXPPXEJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-17-12-10(13)7-9(15-16-12)6-8-4-2-3-5-11(8)14/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine?
4-chloro-6-[(2-fluorophenyl)methyl]-3-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 4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine is sourced from PubChem (CID 117106734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).