3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine

C14H13Cl2N3 — CID 46226427

IUPAC3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine
SMILESClc1cccc(-c2ccc(N3CCCC3)nn2)c1Cl
InChIInChI=1S/C14H13Cl2N3/c15-11-5-3-4-10(14(11)16)12-6-7-13(18-17-12)19-8-1-2-9-19/h3-7H,1-2,8-9H2
InChIKeyXHWQRPUTOGKPEE-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.05
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine

3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine (PubChem CID 46226427) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine
PubChem CID46226427
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine
SMILESClc1cccc(-c2ccc(N3CCCC3)nn2)c1Cl
InChIInChI=1S/C14H13Cl2N3/c15-11-5-3-4-10(14(11)16)12-6-7-13(18-17-12)19-8-1-2-9-19/h3-7H,1-2,8-9H2
InChIKeyXHWQRPUTOGKPEE-UHFFFAOYSA-N
XLogP4.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine (CID 46226427) is 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine is Clc1cccc(-c2ccc(N3CCCC3)nn2)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine?
The InChIKey is XHWQRPUTOGKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c15-11-5-3-4-10(14(11)16)12-6-7-13(18-17-12)19-8-1-2-9-19/h3-7H,1-2,8-9H2.
What are the key properties of 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine?
3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine has a molecular weight of 294.19 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 46226427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).