3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile

C14H12FN3O — CID 63937553

IUPAC3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(OCc2ccccc2F)c(C#N)c1C
InChIInChI=1S/C14H12FN3O/c1-9-10(2)17-18-14(12(9)7-16)19-8-11-5-3-4-6-13(11)15/h3-6H,8H2,1-2H3
InChIKeyMDBQGMNZXHPUPD-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.68
Rot. Bonds3

About 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile

3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 63937553) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID63937553
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(OCc2ccccc2F)c(C#N)c1C
InChIInChI=1S/C14H12FN3O/c1-9-10(2)17-18-14(12(9)7-16)19-8-11-5-3-4-6-13(11)15/h3-6H,8H2,1-2H3
InChIKeyMDBQGMNZXHPUPD-UHFFFAOYSA-N
XLogP2.68
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile (CID 63937553) is 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(OCc2ccccc2F)c(C#N)c1C.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is MDBQGMNZXHPUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-9-10(2)17-18-14(12(9)7-16)19-8-11-5-3-4-6-13(11)15/h3-6H,8H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 63937553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).