(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine

C12H12FN3O — CID 103374032

IUPAC(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccccc2F)nn1
InChIInChI=1S/C12H12FN3O/c1-17-11-7-6-10(15-16-11)12(14)8-4-2-3-5-9(8)13/h2-7,12H,14H2,1H3
InChIKeyIBEDUYAJPSZWJX-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.67
Rot. Bonds3

About (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine

(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine (PubChem CID 103374032) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine.

Molecular Properties

Compound Name(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine
PubChem CID103374032
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccccc2F)nn1
InChIInChI=1S/C12H12FN3O/c1-17-11-7-6-10(15-16-11)12(14)8-4-2-3-5-9(8)13/h2-7,12H,14H2,1H3
InChIKeyIBEDUYAJPSZWJX-UHFFFAOYSA-N
XLogP1.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103395933
[2-(2-methoxyethoxy)phenyl]-(6-methoxypyridazin-3-yl)methanamine
CID 103374065
(6-methoxypyridazin-3-yl)-quinolin-8-ylmethanamine
CID 103373778
(1R)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 69002716
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515551
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374736
(2-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanol
CID 102950386
(2-chlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373672
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(6-methoxypyridazin-3-yl)-thiophen-3-ylmethanamine
CID 103373837
[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375635

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine?
The IUPAC name of (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine (CID 103374032) is (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine.
What is the SMILES notation for (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine?
The canonical SMILES for (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine is COc1ccc(C(N)c2ccccc2F)nn1.
What is the InChIKey of (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine?
The InChIKey is IBEDUYAJPSZWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-11-7-6-10(15-16-11)12(14)8-4-2-3-5-9(8)13/h2-7,12H,14H2,1H3.
What are the key properties of (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine?
(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine has a molecular weight of 233.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine is sourced from PubChem (CID 103374032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).