[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine

C11H9ClFN3O — CID 80507987

IUPAC[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C11H9ClFN3O/c12-9-5-8(13)1-2-10(9)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2
InChIKeyWBGORCMOFJGOTA-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.52
Rot. Bonds3

About [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine

[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine (PubChem CID 80507987) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
PubChem CID80507987
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C11H9ClFN3O/c12-9-5-8(13)1-2-10(9)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2
InChIKeyWBGORCMOFJGOTA-UHFFFAOYSA-N
XLogP2.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507794
[1-(2-chloro-4-fluorophenoxy)isoquinolin-4-yl]methanamine
CID 106777368
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
(3-phenoxypyridazin-4-yl)methanamine
CID 80507739
N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide
CID 80507952
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
CID 114056675
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine (CID 80507987) is [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine is NCc1ccnnc1Oc1ccc(F)cc1Cl.
What is the InChIKey of [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine?
The InChIKey is WBGORCMOFJGOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c12-9-5-8(13)1-2-10(9)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2.
What are the key properties of [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine?
[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine has a molecular weight of 253.66 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).