3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine

C10H7Cl2N3 — CID 104737129

IUPAC3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
SMILESClc1cc(Cc2cccnc2)c(Cl)nn1
InChIInChI=1S/C10H7Cl2N3/c11-9-5-8(10(12)15-14-9)4-7-2-1-3-13-6-7/h1-3,5-6H,4H2
InChIKeyCAMGIFHAQVYFNJ-UHFFFAOYSA-N
MW240.09 g/mol
LogP2.77
Rot. Bonds2

About 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine

3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine (PubChem CID 104737129) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
PubChem CID104737129
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
SMILESClc1cc(Cc2cccnc2)c(Cl)nn1
InChIInChI=1S/C10H7Cl2N3/c11-9-5-8(10(12)15-14-9)4-7-2-1-3-13-6-7/h1-3,5-6H,4H2
InChIKeyCAMGIFHAQVYFNJ-UHFFFAOYSA-N
XLogP2.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
CID 102752752
3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
CID 114038414
4-fluoro-2-(pyridin-3-ylmethyl)aniline
CID 105454248
6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 114289854
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393
2-pyridin-3-ylacetyl chloride
CID 14697475
2-fluoro-6-(pyridin-3-ylmethyl)aniline
CID 105454246
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine (CID 104737129) is 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine is Clc1cc(Cc2cccnc2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine?
The InChIKey is CAMGIFHAQVYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-9-5-8(10(12)15-14-9)4-7-2-1-3-13-6-7/h1-3,5-6H,4H2.
What are the key properties of 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine?
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine has a molecular weight of 240.09 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine is sourced from PubChem (CID 104737129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).