3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile

C12H8FN3O — CID 80510980

IUPAC3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1OCc1ccccc1F
InChIInChI=1S/C12H8FN3O/c13-11-4-2-1-3-10(11)8-17-12-9(7-14)5-6-15-16-12/h1-6H,8H2
InChIKeyJRXZCHFDNZGJSZ-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.07
Rot. Bonds3

About 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile

3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile (PubChem CID 80510980) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
PubChem CID80510980
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1OCc1ccccc1F
InChIInChI=1S/C12H8FN3O/c13-11-4-2-1-3-10(11)8-17-12-9(7-14)5-6-15-16-12/h1-6H,8H2
InChIKeyJRXZCHFDNZGJSZ-UHFFFAOYSA-N
XLogP2.07
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
CID 63937147
3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
CID 80510429
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
3-prop-2-ynoxypyridazine-4-carbonitrile
CID 80510731
2-chloro-3-[(2-fluorophenyl)methoxy]pyrazine
CID 63936130
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252
3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile
CID 80510710
1-[(2-fluorophenyl)methoxy]-4-phenylphthalazine
CID 6407558
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
3-(4-methylpentoxy)pyridazine-4-carbonitrile
CID 80510178
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
3-(3-fluorophenoxy)pyridazine-4-carbonitrile
CID 80510198

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile (CID 80510980) is 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile is N#Cc1ccnnc1OCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile?
The InChIKey is JRXZCHFDNZGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-11-4-2-1-3-10(11)8-17-12-9(7-14)5-6-15-16-12/h1-6H,8H2.
What are the key properties of 3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile?
3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile has a molecular weight of 229.21 g/mol, XLogP of 2.07, 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]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).